# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_7622_auto
_audit_block_doi                 10.5517/ccdc.csd.cc2mxjps
_database_code_depnum_ccdc_archive 'CCDC 2440496'
loop_
_audit_author_name
_audit_author_address
'Xiang-Ru Liu' SYSU
_audit_update_record             
;
2025-04-02 deposited with the CCDC.	2025-04-23 downloaded from the CCDC.
;
_audit_creation_date             2025-04-02
_audit_creation_method           
;
Olex2 1.5-ac6-012
(compiled 2023.08.24 svn.re1ec1418 for Rigaku Oxford Diffraction, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        
9-(11H-benzo[b]fluoren-11-ylidene)-10-(4-nitrophenyl)-9,10-dihydroacridine
_chemical_formula_moiety         'C36 H22 N2 O2'
_chemical_formula_sum            'C36 H22 N2 O2'
_chemical_formula_weight         514.55
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         CNOH
_chemical_oxdiff_usercomment     BFAc
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   34.2132(4)
_cell_length_b                   7.36930(10)
_cell_length_c                   40.2679(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     10152.6(3)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    21313
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.8260
_cell_measurement_theta_min      2.2300
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.663
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.144a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark yellow'
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4288
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_unetI/netI     0.0436
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            56455
_diffrn_reflns_point_group_measured_fraction_full 0.895
_diffrn_reflns_point_group_measured_fraction_max 0.862
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.234
_diffrn_reflns_theta_min         2.194
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     30.00 116.00   0.50    2.22    --   47.06  63.00 -57.00  172
  2  ω    -95.00 -70.00   0.50    8.87    --  -97.00 129.00 178.00   50
  3  ω   -150.00-125.00   0.50    8.87    --  -97.00 -57.00 -22.00   50
  4  ω     35.00  68.00   0.50    8.87    --  107.75 -63.00 166.00   66
  5  ω    138.00 174.00   0.50    8.87    --  107.75  63.00 -57.00   72
  6  ω     57.00  83.00   0.50    8.87    --  107.75-129.00 104.00   52
  7  ω     35.00  60.00   0.50    8.87    --  107.75 -57.00 -22.00   50
  8  ω     74.00  99.00   0.50    2.22    --   47.06 142.00 -10.00   50
  9  ω    -14.00  19.00   0.50    2.22    --   47.06 -19.00  30.00   66
 10  ω    -23.00  24.00   0.50    2.22    --   47.06 -38.00-180.00   94
 11  ω     38.00  64.00   0.50    8.87    --  107.75 -61.00  60.00   52
 12  ω     40.00  97.00   0.50    8.87    --  107.75 -95.00 150.00  114
 13  ω     37.00  67.00   0.50    8.87    --  107.75 -61.00-150.00   60
 14  ω    133.00 159.00   0.50    8.87    --  107.75  61.00-150.00   52
 15  ω    148.00 175.00   0.50    8.87    --  107.75  61.00 -30.00   54
 16  ω     90.00 116.00   0.50    8.87    --  107.75 -82.00-148.53   52
 17  ω     47.00  72.00   0.50    8.87    --  107.75 -77.00-120.00   50
 18  ω     36.00  68.00   0.50    8.87    --  107.75 -95.00  30.00   64
 19  ω     38.00  70.00   0.50    8.87    --  107.75-125.00   0.00   64
 20  ω     85.00 111.00   0.50    8.87    --  107.75-125.00   0.00   52
 21  ω    111.00 155.00   0.50    8.87    --  107.75  45.00  30.00   88
 22  ω     71.00 101.00   0.50    8.87    --  107.75 -95.00 -30.00   60
 23  ω     91.00 127.00   0.50    8.87    --  107.75  61.00 -30.00   72
 24  ω     37.00  62.00   0.50    8.87    --  107.75 -77.00 -30.00   50
 25  ω     50.00  87.50   0.50    8.87    --  107.75 -95.00  60.00   75
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0202830000
_diffrn_orient_matrix_UB_12      0.0299834000
_diffrn_orient_matrix_UB_13      -0.0893926000
_diffrn_orient_matrix_UB_21      0.0229974000
_diffrn_orient_matrix_UB_22      -0.0236755000
_diffrn_orient_matrix_UB_23      -0.1247685000
_diffrn_orient_matrix_UB_31      -0.0329859000
_diffrn_orient_matrix_UB_32      0.0019424000
_diffrn_orient_matrix_UB_33      -0.1419018000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.736
_reflns_Friedel_fraction_full    0.790
_reflns_Friedel_fraction_max     0.743
_reflns_number_gt                16386
_reflns_number_total             18593
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.144a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.144a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.144a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-ac6-012 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac6-012 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.768
_refine_diff_density_min         -0.259
_refine_diff_density_rms         0.090
_refine_ls_abs_structure_details 
;
 Flack x determined using 5879 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.28(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1441
_refine_ls_number_reflns         18593
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0922
_refine_ls_R_factor_gt           0.0849
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1536P)²+7.2632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2231
_refine_ls_wR_factor_ref         0.2303
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00J(H00J), C00K(H00K), C00O(H00O), C00P(H00P), C18(H18),
 C00S(H00S), C4(H4), C28(H28), C26(H26), C013(H013), C31(H31), C24(H24),
 C01A(H01A), C01B(H01B), C5(H5), C01E(H01E), C01F(H01F), C10(H10), C2(H2),
 C01N(H01N), C01R(H01R), C01S(H01S), C01W(H01W), C29(H29), C022(H022),
 C023(H023), C024(H024), C027(H027), C028(H028), C02B(H02B), C02D(H02D),
 C02I(H02I), C02J(H02J), C02K(H02K), C02M(H02M), C02O(H02O), C02P(H02P),
 C02S(H02S), C02T(H02T), C19(H19), C02V(H02V), C02W(H02W), C02Y(H02Y), C30(H30),
  C14(H14), C3(H3), C035(H035), C037(H037), C038(H038), C32(H32), C03A(H03A),
 C03B(H03B), C12(H12), C03F(H03F), C03G(H03G), C23(H23), C03I(H03I), C03J(H03J),
  C03K(H03K), C15(H15), C03M(H03M), C03N(H03N), C03P(H03P), C16(H16),
 C03T(H03T), C03U(H03U), C03V(H03V), C03W(H03W), C33(H33), C03Z(H03Z),
 C040(H040), C041(H041), C042(H042), C043(H043), C044(H044), C045(H045),
 C046(H046), C047(H047), C048(H048), C049(H049), C04A(H04A), C04B(H04B),
 C04C(H04C), C04D(H04D), C04E(H04E), C04F(H04F), C04G(H04G)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O001 O 0.30199(13) 1.5188(6) 0.59064(13) 0.0411(10) Uani 1 1 d . . . . .
O1 O 0.07168(14) 1.5261(6) 0.30881(14) 0.0469(12) Uani 1 1 d . . . . .
O003 O -0.05464(13) 1.9917(5) 0.90616(12) 0.0367(9) Uani 1 1 d . . . . .
O004 O -0.10007(11) 1.7879(6) 0.90734(13) 0.0469(11) Uani 1 1 d . . . . .
N005 N 0.17091(12) 0.8296(6) 0.34458(12) 0.0295(9) Uani 1 1 d . . . . .
N006 N 0.20281(13) 0.8127(6) 0.61546(13) 0.0354(10) Uani 1 1 d . . . . .
C007 C 0.07854(15) 1.0195(6) 0.61193(14) 0.0260(10) Uani 1 1 d . . . . .
N008 N 0.31340(13) 1.3636(7) 0.59133(13) 0.0369(10) Uani 1 1 d . . . . .
O009 O 0.02664(12) 1.3279(7) 0.30799(16) 0.0570(14) Uani 1 1 d . . . . .
N00A N 0.06055(13) 1.3728(7) 0.31232(13) 0.0371(10) Uani 1 1 d . . . . .
O00B O 0.34780(12) 1.3196(6) 0.58765(16) 0.0576(14) Uani 1 1 d . . . . .
C00C C 0.19702(15) 0.4911(7) 0.40775(15) 0.0308(11) Uani 1 1 d . . . . .
H00C H 0.214872 0.393269 0.410141 0.037 Uiso 1 1 calc R U . . .
N00D N -0.08099(13) 1.3090(6) 0.65446(13) 0.0344(10) Uani 1 1 d . . . . .
O00E O -0.22488(13) 1.8089(6) 0.69066(16) 0.0582(14) Uani 1 1 d . . . . .
C00F C 0.34308(16) 0.5201(7) 0.44774(14) 0.0290(11) Uani 1 1 d . . . . .
O00G O -0.17871(15) 2.0092(6) 0.68926(16) 0.0527(14) Uani 1 1 d . . . . .
N00H N 0.04671(12) 1.2838(7) 0.88316(13) 0.0357(10) Uani 1 1 d . . . . .
C6 C 0.14226(15) 0.9710(7) 0.33849(15) 0.0307(11) Uani 1 1 d . . . . .
C00J C 0.37316(16) 0.4924(7) 0.33703(15) 0.0304(11) Uani 1 1 d . . . . .
H00J H 0.396170 0.463909 0.349168 0.036 Uiso 1 1 calc R U . . .
C00K C -0.03060(16) 0.9680(8) 0.70547(15) 0.0315(11) Uani 1 1 d . . . . .
H00K H -0.012961 0.870080 0.702236 0.038 Uiso 1 1 calc R U . . .
N00L N -0.19084(14) 1.8558(7) 0.68600(15) 0.0413(12) Uani 1 1 d . . . . .
N00M N -0.06588(13) 1.8329(6) 0.90441(13) 0.0352(10) Uani 1 1 d . . . . .
C00N C 0.08644(15) 1.0295(7) 0.64716(14) 0.0272(10) Uani 1 1 d . . . . .
C00O C 0.10427(16) 1.0017(6) 0.58576(17) 0.0299(12) Uani 1 1 d . . . . .
H00O H 0.131220 0.981783 0.590110 0.036 Uiso 1 1 calc R U . . .
C00P C -0.04933(16) 1.5114(7) 0.89440(16) 0.0325(12) Uani 1 1 d . . . . .
H00P H -0.076355 1.481952 0.894738 0.039 Uiso 1 1 calc R U . . .
C00Q C 0.05118(15) 1.0657(7) 0.66407(14) 0.0283(10) Uani 1 1 d . . . . .
C18 C 0.16914(18) 0.5147(8) 0.43169(16) 0.0340(12) Uani 1 1 d . . . . .
H18 H 0.167552 0.435425 0.450246 0.041 Uiso 1 1 calc R U . . .
C00S C 0.05304(16) 1.1048(7) 0.69792(15) 0.0322(11) Uani 1 1 d . . . . .
H00S H 0.029810 1.134149 0.709677 0.039 Uiso 1 1 calc R U . . .
C00T C 0.21420(15) 1.0301(7) 0.87918(16) 0.0318(11) Uani 1 1 d . . . . .
C4 C 0.10302(14) 0.9235(7) 0.33447(14) 0.0292(10) Uani 1 1 d . . . . .
H4 H 0.094834 0.801495 0.337614 0.035 Uiso 1 1 calc R U . . .
C00V C 0.01819(14) 1.0626(7) 0.63959(14) 0.0281(10) Uani 1 1 d . . . . .
C00W C 0.20810(17) 1.0289(8) 0.84348(17) 0.0359(12) Uani 1 1 d . . . . .
C00X C -0.02091(14) 1.0684(7) 0.64589(14) 0.0290(10) Uani 1 1 d . . . . .
C00Y C -0.03863(15) 1.0824(7) 0.67909(14) 0.0289(10) Uani 1 1 d . . . . .
C00Z C 0.01827(16) 1.4228(7) 0.88817(15) 0.0329(11) Uani 1 1 d . . . . .
C28 C 0.35579(15) 0.4905(7) 0.41443(14) 0.0273(10) Uani 1 1 d . . . . .
H28 H 0.381936 0.454009 0.410129 0.033 Uiso 1 1 calc R U . . .
C011 C 0.03587(16) 0.5246(7) 0.62486(18) 0.0361(13) Uani 1 1 d . . . . .
C26 C 0.34132(16) 0.5751(8) 0.28573(15) 0.0362(12) Uani 1 1 d . . . . .
H26 H 0.343171 0.603226 0.262762 0.043 Uiso 1 1 calc R U . . .
C013 C -0.04749(17) 0.9918(8) 0.73649(15) 0.0318(12) Uani 1 1 d . . . . .
H013 H -0.042267 0.909486 0.754093 0.038 Uiso 1 1 calc R U . . .
C014 C 0.14652(16) 1.0459(7) 0.86875(15) 0.0331(11) Uani 1 1 d . . . . .
C015 C 0.03794(14) 1.0522(7) 0.60643(14) 0.0277(10) Uani 1 1 d . . . . .
C9 C 0.20061(15) 0.6023(7) 0.38018(14) 0.0296(10) Uani 1 1 d . . . . .
C31 C 0.36743(19) 0.4943(8) 0.47495(17) 0.0373(13) Uani 1 1 d . . . . .
H31 H 0.392959 0.447285 0.471496 0.045 Uiso 1 1 calc R U . . .
C24 C 0.27873(15) 0.6104(7) 0.42550(15) 0.0309(10) Uani 1 1 d . . . . .
H24 H 0.252805 0.651789 0.429262 0.037 Uiso 1 1 calc R U . . .
C22 C 0.33768(16) 0.5137(7) 0.35308(15) 0.0299(11) Uani 1 1 d . . . . .
C01A C 0.23602(16) 1.0222(8) 0.81818(16) 0.0337(12) Uani 1 1 d . . . . .
H01A H 0.262738 1.001063 0.823313 0.040 Uiso 1 1 calc R U . . .
C01B C 0.21864(16) 1.1321(8) 0.60626(17) 0.0382(12) Uani 1 1 d . . . . .
H01B H 0.191700 1.161372 0.608305 0.046 Uiso 1 1 calc R U . . .
C01C C 0.00228(16) 0.5143(7) 0.57181(18) 0.0364(13) Uani 1 1 d . . . . .
C5 C 0.15459(16) 1.1475(8) 0.33477(17) 0.0394(13) Uani 1 1 d . . . . .
H5 H 0.181281 1.178007 0.338099 0.047 Uiso 1 1 calc R U . . .
C01E C 0.04719(18) 0.9871(9) 0.7946(2) 0.0416(14) Uani 1 1 d . . . . .
H01E H 0.045529 0.910825 0.775680 0.050 Uiso 1 1 calc R U . . .
C01F C 0.07417(17) 0.9500(9) 0.81966(19) 0.0422(14) Uani 1 1 d . . . . .
H01F H 0.090939 0.847864 0.817665 0.051 Uiso 1 1 calc R U . . .
C27 C 0.30475(16) 0.5933(8) 0.45250(15) 0.0347(11) Uani 1 1 d . . . . .
C01H C -0.03660(15) 1.6907(7) 0.89888(14) 0.0328(11) Uani 1 1 d . . . . .
C01I C 0.09122(17) 1.0125(7) 0.55297(15) 0.0302(11) Uani 1 1 d . . . . .
C10 C 0.14359(16) 0.7681(8) 0.39990(15) 0.0342(11) Uani 1 1 d . . . . .
H10 H 0.125331 0.864247 0.397350 0.041 Uiso 1 1 calc R U . . .
C2 C 0.07591(16) 1.0572(8) 0.32576(15) 0.0337(11) Uani 1 1 d . . . . .
H2 H 0.049150 1.027697 0.322538 0.040 Uiso 1 1 calc R U . . .
C01L C 0.04817(15) 1.1964(7) 0.85213(15) 0.0338(11) Uani 1 1 d . . . . .
C01M C 0.17744(16) 1.0477(7) 0.89522(18) 0.0367(13) Uani 1 1 d . . . . .
C01N C 0.01578(17) 0.5235(7) 0.68624(19) 0.0380(14) Uani 1 1 d . . . . .
H01N H -0.010910 0.493888 0.682628 0.046 Uiso 1 1 calc R U . . .
C1 C 0.08895(15) 1.2324(7) 0.32198(15) 0.0334(11) Uani 1 1 d . . . . .
C01P C 0.08243(16) 0.5705(7) 0.66585(18) 0.0370(13) Uani 1 1 d . . . . .
C01Q C 0.07680(14) 1.0599(7) 0.84725(16) 0.0325(11) Uani 1 1 d . . . . .
C01R C 0.12177(17) 1.0239(8) 0.66357(16) 0.0342(12) Uani 1 1 d . . . . .
H01R H 0.145100 0.998034 0.651688 0.041 Uiso 1 1 calc R U . . .
C01S C 0.17678(15) 1.0812(7) 0.92838(16) 0.0328(11) Uani 1 1 d . . . . .
H01S H 0.152413 1.101034 0.939081 0.039 Uiso 1 1 calc R U . . .
C25 C 0.33020(15) 0.5150(7) 0.38870(14) 0.0269(10) Uani 1 1 d . . . . .
C21 C 0.29040(15) 0.5683(7) 0.39414(15) 0.0311(11) Uani 1 1 d . . . . .
C01V C 0.23095(16) 0.9546(8) 0.60954(17) 0.0357(12) Uani 1 1 d . . . . .
C01W C 0.00215(17) 0.5080(7) 0.60636(18) 0.0371(13) Uani 1 1 d . . . . .
H01W H -0.022017 0.491800 0.617587 0.044 Uiso 1 1 calc R U . . .
C29 C 0.37436(17) 0.5136(8) 0.30265(16) 0.0362(12) Uani 1 1 d . . . . .
H29 H 0.397619 0.486314 0.290760 0.043 Uiso 1 1 calc R U . . .
C01Y C 0.05148(17) 1.0586(8) 0.54709(16) 0.0376(12) Uani 1 1 d . . . . .
C01Z C 0.10696(15) 1.0434(8) 0.87420(16) 0.0346(12) Uani 1 1 d . . . . .
C020 C 0.16247(15) 0.5690(8) 0.59417(17) 0.0369(12) Uani 1 1 d . . . . .
C7 C 0.17124(15) 0.7357(7) 0.37515(14) 0.0317(11) Uani 1 1 d . . . . .
C022 C -0.08431(16) 0.9788(8) 0.56990(17) 0.0355(12) Uani 1 1 d . . . . .
H022 H -0.086375 0.895693 0.551945 0.043 Uiso 1 1 calc R U . . .
C023 C 0.17209(19) 0.4576(10) 0.5389(2) 0.0482(16) Uani 1 1 d . . . . .
H023 H 0.166446 0.371948 0.521893 0.058 Uiso 1 1 calc R U . . .
C024 C 0.24912(16) 1.0318(7) 0.89692(17) 0.0350(12) Uani 1 1 d . . . . .
H024 H 0.273306 1.015813 0.885702 0.042 Uiso 1 1 calc R U . . .
C025 C 0.16821(15) 1.0492(8) 0.83659(16) 0.0359(12) Uani 1 1 d . . . . .
C026 C -0.08146(14) 1.2099(7) 0.62451(15) 0.0318(11) Uani 1 1 d . . . . .
C027 C -0.02177(16) 1.3813(8) 0.88958(18) 0.0403(13) Uani 1 1 d . . . . .
H027 H -0.029818 1.258632 0.887095 0.048 Uiso 1 1 calc R U . . .
C028 C 0.02963(16) 1.6003(7) 0.89205(17) 0.0357(12) Uani 1 1 d . . . . .
H028 H 0.056603 1.630293 0.890809 0.043 Uiso 1 1 calc R U . . .
C8 C 0.18416(15) 0.7291(8) 0.31671(15) 0.0340(11) Uani 1 1 d . . . . .
C02A C 0.21186(16) 1.0872(7) 0.94750(16) 0.0353(12) Uani 1 1 d . . . . .
C02B C 0.24576(16) 1.2673(7) 0.59998(16) 0.0364(12) Uani 1 1 d . . . . .
H02B H 0.237801 1.389903 0.597225 0.044 Uiso 1 1 calc R U . . .
C02C C 0.24841(17) 1.0572(7) 0.93151(17) 0.0369(12) Uani 1 1 d . . . . .
C02D C 0.00254(16) 1.7366(8) 0.89774(16) 0.0382(13) Uani 1 1 d . . . . .
H02D H 0.010685 1.858718 0.900789 0.046 Uiso 1 1 calc R U . . .
C02E C 0.08759(14) 1.0477(8) 0.90662(16) 0.0337(11) Uani 1 1 d . . . . .
C02F C 0.07289(16) 0.5518(7) 0.60675(18) 0.0369(13) Uani 1 1 d . . . . .
C13 C 0.23112(15) 0.5864(7) 0.35475(15) 0.0316(11) Uani 1 1 d . . . . .
C02H C 0.05782(14) 1.1784(8) 0.91114(15) 0.0336(11) Uani 1 1 d . . . . .
C02I C 0.20795(17) 0.7180(8) 0.55724(17) 0.0412(13) Uani 1 1 d . . . . .
H02I H 0.226437 0.811539 0.553103 0.049 Uiso 1 1 calc R U . . .
C02J C -0.17617(16) 1.5363(8) 0.67120(15) 0.0338(11) Uani 1 1 d . . . . .
H02J H -0.203119 1.507424 0.673290 0.041 Uiso 1 1 calc R U . . .
C02K C -0.07218(17) 1.1389(9) 0.74112(16) 0.0403(13) Uani 1 1 d . . . . .
H02K H -0.082166 1.163710 0.762656 0.048 Uiso 1 1 calc R U . . .
C02L C 0.19126(16) 0.7018(8) 0.58828(17) 0.0383(13) Uani 1 1 d . . . . .
C02M C 0.17742(17) 0.4869(8) 0.68229(17) 0.0364(12) Uani 1 1 d . . . . .
H02M H 0.160028 0.387929 0.685519 0.044 Uiso 1 1 calc R U . . .
C02N C 0.20163(16) 0.7271(8) 0.64732(18) 0.0399(13) Uani 1 1 d . . . . .
C02O C -0.10838(15) 1.2371(8) 0.59928(15) 0.0356(12) Uani 1 1 d . . . . .
H02O H -0.126344 1.335000 0.600812 0.043 Uiso 1 1 calc R U . . .
C02P C 0.02522(15) 1.0745(7) 0.57488(14) 0.0313(11) Uani 1 1 d . . . . .
H02P H -0.001553 1.101209 0.570991 0.038 Uiso 1 1 calc R U . . .
C17 C 0.27044(15) 0.5765(7) 0.36083(15) 0.0315(11) Uani 1 1 d . . . . .
C02R C -0.05233(15) 1.0753(7) 0.62012(15) 0.0318(11) Uani 1 1 d . . . . .
C02S C 0.07284(16) 0.5723(7) 0.57402(18) 0.0376(13) Uani 1 1 d . . . . .
H02S H 0.096585 0.602699 0.563137 0.045 Uiso 1 1 calc R U . . .
C02T C 0.02285(16) 1.2413(8) 0.82603(16) 0.0385(12) Uani 1 1 d . . . . .
H02T H 0.005860 1.342816 0.827774 0.046 Uiso 1 1 calc R U . . .
C19 C 0.20576(17) 0.4980(8) 0.26516(19) 0.0376(14) Uani 1 1 d . . . . .
H19 H 0.211707 0.413539 0.248057 0.045 Uiso 1 1 calc R U . . .
C02V C 0.28111(19) 1.0893(9) 0.9849(2) 0.0475(15) Uani 1 1 d . . . . .
H02V H 0.304306 1.086249 0.997815 0.057 Uiso 1 1 calc R U . . .
C02W C 0.15483(15) 0.4399(8) 0.56911(19) 0.0408(14) Uani 1 1 d . . . . .
H02W H 0.137718 0.341107 0.573359 0.049 Uiso 1 1 calc R U . . .
C02X C 0.04203(17) 0.5319(8) 0.65897(18) 0.0362(13) Uani 1 1 d . . . . .
C02Y C 0.1025(2) 1.0079(11) 0.49370(18) 0.0519(18) Uani 1 1 d . . . . .
H02Y H 0.119635 0.992954 0.475343 0.062 Uiso 1 1 calc R U . . .
C30 C 0.29358(17) 0.6413(8) 0.48533(16) 0.0405(13) Uani 1 1 d . . . . .
H30 H 0.268466 0.692092 0.489155 0.049 Uiso 1 1 calc R U . . .
C11 C 0.21330(14) 0.5973(7) 0.32142(15) 0.0313(11) Uani 1 1 d . . . . .
C20 C 0.30283(14) 0.5619(7) 0.33602(14) 0.0305(11) Uani 1 1 d . . . . .
C14 C 0.14256(16) 0.6621(8) 0.42792(16) 0.0385(12) Uani 1 1 d . . . . .
H14 H 0.124027 0.687167 0.444876 0.046 Uiso 1 1 calc R U . . .
C3 C 0.12745(16) 1.2822(8) 0.32600(17) 0.0394(13) Uani 1 1 d . . . . .
H3 H 0.135449 1.404467 0.322932 0.047 Uiso 1 1 calc R U . . .
C034 C -0.06794(15) 1.2151(7) 0.68275(15) 0.0334(11) Uani 1 1 d . . . . .
C035 C -0.10948(16) 1.1239(9) 0.57193(16) 0.0391(12) Uani 1 1 d . . . . .
H035 H -0.127613 1.146348 0.554540 0.047 Uiso 1 1 calc R U . . .
C036 C 0.28458(15) 1.2194(7) 0.59785(15) 0.0342(11) Uani 1 1 d . . . . .
C037 C -0.08251(16) 1.2501(8) 0.71483(16) 0.0385(12) Uani 1 1 d . . . . .
H037 H -0.099474 1.350191 0.718433 0.046 Uiso 1 1 calc R U . . .
C038 C 0.1165(2) 0.9914(9) 0.52506(17) 0.0406(14) Uani 1 1 d . . . . .
H038 H 0.143427 0.965604 0.528479 0.049 Uiso 1 1 calc R U . . .
C32 C 0.31825(19) 0.6156(9) 0.51132(17) 0.0438(13) Uani 1 1 d . . . . .
H32 H 0.310416 0.652123 0.532945 0.053 Uiso 1 1 calc R U . . .
C03A C 0.02302(17) 1.1351(9) 0.79764(17) 0.0433(14) Uani 1 1 d . . . . .
H03A H 0.006018 1.165366 0.779829 0.052 Uiso 1 1 calc R U . . .
C03B C 0.21117(18) 1.1230(8) 0.98171(17) 0.0422(13) Uani 1 1 d . . . . .
H03B H 0.186895 1.145906 0.992361 0.051 Uiso 1 1 calc R U . . .
C03C C -0.16305(16) 1.7146(7) 0.67576(16) 0.0362(12) Uani 1 1 d . . . . .
C12 C 0.16931(16) 0.7590(9) 0.28480(16) 0.0396(13) Uani 1 1 d . . . . .
H12 H 0.151904 0.856949 0.280723 0.048 Uiso 1 1 calc R U . . .
C03E C 0.14359(17) 0.5693(7) 0.62748(18) 0.0401(13) Uani 1 1 d . . . . .
C03F C 0.22756(16) 0.7750(8) 0.67232(18) 0.0418(14) Uani 1 1 d . . . . .
H03F H 0.244558 0.875696 0.669448 0.050 Uiso 1 1 calc R U . . .
C03G C 0.09506(17) 0.9245(8) 0.93205(17) 0.0396(13) Uani 1 1 d . . . . .
H03G H 0.112558 0.826307 0.928453 0.048 Uiso 1 1 calc R U . . .
C23 C 0.30560(16) 0.5958(8) 0.30203(15) 0.0362(12) Uani 1 1 d . . . . .
H23 H 0.283138 0.633100 0.289960 0.043 Uiso 1 1 calc R U . . .
C03I C 0.04018(17) 1.1991(9) 0.94233(17) 0.0415(13) Uani 1 1 d . . . . .
H03I H 0.021579 1.292709 0.946003 0.050 Uiso 1 1 calc R U . . .
C03J C -0.12400(16) 1.7616(8) 0.67155(19) 0.0429(14) Uani 1 1 d . . . . .
H03J H -0.115690 1.883713 0.674190 0.051 Uiso 1 1 calc R U . . .
C03K C 0.09405(19) 0.6088(8) 0.69790(18) 0.0430(13) Uani 1 1 d . . . . .
H03K H 0.120479 0.639595 0.702429 0.052 Uiso 1 1 calc R U . . .
C15 C 0.22172(15) 0.4793(7) 0.29569(17) 0.0327(12) Uani 1 1 d . . . . .
H15 H 0.239300 0.381789 0.299603 0.039 Uiso 1 1 calc R U . . .
C03M C 0.12317(17) 1.0560(9) 0.69745(18) 0.0435(14) Uani 1 1 d . . . . .
H03M H 0.147275 1.047733 0.709060 0.052 Uiso 1 1 calc R U . . .
C03N C -0.05604(16) 0.9537(8) 0.59393(17) 0.0359(12) Uani 1 1 d . . . . .
H03N H -0.038949 0.852393 0.592554 0.043 Uiso 1 1 calc R U . . .
C03O C -0.10969(16) 1.4501(8) 0.65977(15) 0.0335(11) Uani 1 1 d . . . . .
C03P C 0.0382(2) 1.0730(10) 0.51447(17) 0.0478(15) Uani 1 1 d . . . . .
H03P H 0.011617 1.101428 0.510265 0.057 Uiso 1 1 calc R U . . .
C03Q C 0.17344(16) 0.5922(7) 0.65310(17) 0.0371(12) Uani 1 1 d . . . . .
C16 C 0.18035(16) 0.6433(10) 0.25903(17) 0.0416(13) Uani 1 1 d . . . . .
H16 H 0.170611 0.663149 0.237239 0.050 Uiso 1 1 calc R U . . .
C03S C 0.10414(16) 0.5639(7) 0.63275(17) 0.0355(12) Uani 1 1 d . . . . .
C03T C 0.08853(18) 1.1010(8) 0.71457(15) 0.0383(12) Uani 1 1 d . . . . .
H03T H 0.089515 1.128880 0.737592 0.046 Uiso 1 1 calc R U . . .
C03U C 0.27052(17) 0.9104(8) 0.6079(2) 0.0455(15) Uani 1 1 d . . . . .
H03U H 0.278743 0.788601 0.611163 0.055 Uiso 1 1 calc R U . . .
C03V C -0.03132(19) 0.4895(10) 0.5513(2) 0.053(2) Uani 1 1 d . . . . .
H03V H -0.056101 0.472929 0.561463 0.064 Uiso 1 1 calc R U . . .
C03W C -0.14929(16) 1.4041(8) 0.66365(16) 0.0366(12) Uani 1 1 d . . . . .
H03W H -0.157460 1.281697 0.661050 0.044 Uiso 1 1 calc R U . . .
C03X C 0.03851(18) 0.5504(9) 0.55481(19) 0.0443(14) Uani 1 1 d . . . . .
C33 C 0.3557(2) 0.5348(10) 0.50671(18) 0.0461(15) Uani 1 1 d . . . . .
H33 H 0.372082 0.509530 0.525157 0.055 Uiso 1 1 calc R U . . .
C03Z C 0.28309(18) 1.0582(8) 0.95107(18) 0.0417(14) Uani 1 1 d . . . . .
H03Z H 0.307699 1.037364 0.940838 0.050 Uiso 1 1 calc R U . . .
C040 C 0.0768(2) 0.9452(10) 0.9629(2) 0.0492(16) Uani 1 1 d . . . . .
H040 H 0.082885 0.864507 0.980524 0.059 Uiso 1 1 calc R U . . .
C041 C 0.22862(18) 0.6733(9) 0.70209(18) 0.0458(14) Uani 1 1 d . . . . .
H041 H 0.245575 0.709078 0.719591 0.055 Uiso 1 1 calc R U . . .
C042 C 0.0502(2) 1.0812(9) 0.96773(18) 0.0450(14) Uani 1 1 d . . . . .
H042 H 0.038417 1.095108 0.988928 0.054 Uiso 1 1 calc R U . . .
C043 C 0.2452(2) 1.1254(9) 1.00015(18) 0.0479(14) Uani 1 1 d . . . . .
H043 H 0.244233 1.151613 1.023241 0.058 Uiso 1 1 calc R U . . .
C044 C 0.15699(17) 1.0782(8) 0.80392(17) 0.0409(13) Uani 1 1 d . . . . .
H044 H 0.130296 1.099732 0.798771 0.049 Uiso 1 1 calc R U . . .
C045 C 0.22426(18) 1.0470(9) 0.78533(17) 0.0422(13) Uani 1 1 d . . . . .
H045 H 0.242885 1.044199 0.767836 0.051 Uiso 1 1 calc R U . . .
C046 C 0.0663(2) 0.6020(9) 0.72408(19) 0.0460(14) Uani 1 1 d . . . . .
H046 H 0.073965 0.628594 0.746214 0.055 Uiso 1 1 calc R U . . .
C047 C 0.0287(2) 0.5573(9) 0.7173(2) 0.0490(16) Uani 1 1 d . . . . .
H047 H 0.010635 0.549499 0.735133 0.059 Uiso 1 1 calc R U . . .
C048 C 0.29765(17) 1.0439(9) 0.6014(2) 0.0466(16) Uani 1 1 d . . . . .
H048 H 0.324644 1.015656 0.599527 0.056 Uiso 1 1 calc R U . . .
C049 C 0.18489(19) 1.0758(10) 0.77853(18) 0.0468(15) Uani 1 1 d . . . . .
H049 H 0.176793 1.094185 0.756214 0.056 Uiso 1 1 calc R U . . .
C04A C 0.0636(3) 1.0463(13) 0.48823(19) 0.063(2) Uani 1 1 d . . . . .
H04A H 0.054047 1.054430 0.466117 0.076 Uiso 1 1 calc R U . . .
C04B C -0.09776(17) 1.6284(9) 0.66351(19) 0.0433(14) Uani 1 1 d . . . . .
H04B H -0.071016 1.658744 0.660460 0.052 Uiso 1 1 calc R U . . .
C04C C 0.20481(19) 0.5200(9) 0.70593(19) 0.0429(15) Uani 1 1 d . . . . .
H04C H 0.207741 0.441692 0.724506 0.051 Uiso 1 1 calc R U . . .
C04D C 0.03950(19) 0.5544(11) 0.5199(2) 0.0568(19) Uani 1 1 d . . . . .
H04D H 0.063286 0.584862 0.509137 0.068 Uiso 1 1 calc R U . . .
C04E C -0.0290(2) 0.4887(12) 0.5180(2) 0.059(2) Uani 1 1 d . . . . .
H04E H -0.052225 0.469851 0.505476 0.071 Uiso 1 1 calc R U . . .
C04F C 0.19800(18) 0.6000(10) 0.5323(2) 0.0499(16) Uani 1 1 d . . . . .
H04F H 0.208661 0.614829 0.510709 0.060 Uiso 1 1 calc R U . . .
C04G C 0.0068(2) 0.5151(12) 0.5007(2) 0.063(2) Uani 1 1 d . . . . .
H04G H 0.008263 0.506278 0.477203 0.076 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O001 N008 1.209(7) . ?
O1 N00A 1.200(7) . ?
O003 N00M 1.234(6) . ?
O004 N00M 1.222(6) . ?
N005 C6 1.451(7) . ?
N005 C7 1.412(7) . ?
N005 C8 1.419(7) . ?
N006 C01V 1.441(7) . ?
N006 C02L 1.422(8) . ?
N006 C02N 1.430(9) . ?
C007 C00N 1.446(8) . ?
C007 C00O 1.379(8) . ?
C007 C015 1.427(7) . ?
N008 O00B 1.230(6) . ?
N008 C036 1.473(7) . ?
O009 N00A 1.219(6) . ?
N00A C1 1.472(7) . ?
C00C H00C 0.9500 . ?
C00C C18 1.367(9) . ?
C00C C9 1.385(8) . ?
N00D C026 1.410(8) . ?
N00D C034 1.406(8) . ?
N00D C03O 1.446(7) . ?
O00E N00L 1.229(7) . ?
C00F C28 1.427(8) . ?
C00F C31 1.390(9) . ?
C00F C27 1.431(8) . ?
O00G N00L 1.212(7) . ?
N00H C00Z 1.427(7) . ?
N00H C01L 1.406(8) . ?
N00H C02H 1.420(8) . ?
C6 C4 1.397(7) . ?
C6 C5 1.375(8) . ?
C00J H00J 0.9500 . ?
C00J C22 1.384(8) . ?
C00J C29 1.394(9) . ?
C00K H00K 0.9500 . ?
C00K C00Y 1.384(8) . ?
C00K C013 1.387(8) . ?
N00L C03C 1.469(7) . ?
N00M C01H 1.467(7) . ?
C00N C00Q 1.411(7) . ?
C00N C01R 1.378(8) . ?
C00O H00O 0.9500 . ?
C00O C01I 1.396(9) . ?
C00P H00P 0.9500 . ?
C00P C01H 1.403(8) . ?
C00P C027 1.359(8) . ?
C00Q C00S 1.395(8) . ?
C00Q C00V 1.499(7) . ?
C18 H18 0.9500 . ?
C18 C14 1.425(9) . ?
C00S H00S 0.9500 . ?
C00S C03T 1.388(8) . ?
C00T C00W 1.453(9) . ?
C00T C01M 1.420(8) . ?
C00T C024 1.392(8) . ?
C4 H4 0.9500 . ?
C4 C2 1.398(8) . ?
C00V C00X 1.362(7) . ?
C00V C015 1.498(7) . ?
C00W C01A 1.397(9) . ?
C00W C025 1.400(8) . ?
C00X C00Y 1.472(8) . ?
C00X C02R 1.495(8) . ?
C00Y C034 1.408(7) . ?
C00Z C027 1.405(8) . ?
C00Z C028 1.374(8) . ?
C28 H28 0.9500 . ?
C28 C25 1.369(8) . ?
C011 C01W 1.379(9) . ?
C011 C02F 1.475(8) . ?
C011 C02X 1.391(10) . ?
C26 H26 0.9500 . ?
C26 C29 1.395(9) . ?
C26 C23 1.396(8) . ?
C013 H013 0.9500 . ?
C013 C02K 1.387(9) . ?
C014 C01M 1.502(8) . ?
C014 C01Z 1.371(8) . ?
C014 C025 1.493(8) . ?
C015 C02P 1.353(8) . ?
C9 C7 1.420(7) . ?
C9 C13 1.467(8) . ?
C31 H31 0.9500 . ?
C31 C33 1.374(10) . ?
C24 H24 0.9500 . ?
C24 C27 1.411(8) . ?
C24 C21 1.361(8) . ?
C22 C25 1.457(9) . ?
C22 C20 1.421(7) . ?
C01A H01A 0.9500 . ?
C01A C045 1.395(10) . ?
C01B H01B 0.9500 . ?
C01B C01V 1.381(8) . ?
C01B C02B 1.385(8) . ?
C01C C01W 1.392(10) . ?
C01C C03V 1.429(9) . ?
C01C C03X 1.441(9) . ?
C5 H5 0.9500 . ?
C5 C3 1.404(8) . ?
C01E H01E 0.9500 . ?
C01E C01F 1.393(10) . ?
C01E C03A 1.374(10) . ?
C01F H01F 0.9500 . ?
C01F C01Q 1.378(10) . ?
C27 C30 1.421(9) . ?
C01H C02D 1.382(8) . ?
C01I C01Y 1.421(8) . ?
C01I C038 1.427(8) . ?
C10 H10 0.9500 . ?
C10 C7 1.395(8) . ?
C10 C14 1.373(9) . ?
C2 H2 0.9500 . ?
C2 C1 1.374(8) . ?
C01L C01Q 1.417(8) . ?
C01L C02T 1.402(8) . ?
C01M C01S 1.358(9) . ?
C01N H01N 0.9500 . ?
C01N C02X 1.420(9) . ?
C01N C047 1.348(11) . ?
C1 C3 1.377(8) . ?
C01P C02X 1.438(8) . ?
C01P C03K 1.380(10) . ?
C01P C03S 1.527(9) . ?
C01Q C01Z 1.503(8) . ?
C01R H01R 0.9500 . ?
C01R C03M 1.385(10) . ?
C01S H01S 0.9500 . ?
C01S C02A 1.427(8) . ?
C25 C21 1.434(7) . ?
C21 C17 1.506(8) . ?
C01V C03U 1.394(8) . ?
C01W H01W 0.9500 . ?
C29 H29 0.9500 . ?
C01Y C02P 1.440(8) . ?
C01Y C03P 1.393(9) . ?
C01Z C02E 1.464(9) . ?
C020 C02L 1.409(8) . ?
C020 C02W 1.411(9) . ?
C020 C03E 1.489(9) . ?
C022 H022 0.9500 . ?
C022 C035 1.376(9) . ?
C022 C03N 1.381(9) . ?
C023 H023 0.9500 . ?
C023 C02W 1.360(11) . ?
C023 C04F 1.398(10) . ?
C024 H024 0.9500 . ?
C024 C02C 1.406(10) . ?
C025 C044 1.387(9) . ?
C026 C02O 1.386(8) . ?
C026 C02R 1.417(7) . ?
C027 H027 0.9500 . ?
C028 H028 0.9500 . ?
C028 C02D 1.386(8) . ?
C8 C11 1.405(8) . ?
C8 C12 1.399(9) . ?
C02A C02C 1.424(8) . ?
C02A C03B 1.403(9) . ?
C02B H02B 0.9500 . ?
C02B C036 1.377(7) . ?
C02C C03Z 1.424(8) . ?
C02D H02D 0.9500 . ?
C02E C02H 1.413(8) . ?
C02E C03G 1.392(9) . ?
C02F C02S 1.326(10) . ?
C02F C03S 1.499(9) . ?
C13 C17 1.369(7) . ?
C13 C11 1.476(8) . ?
C02H C03I 1.402(9) . ?
C02I H02I 0.9500 . ?
C02I C02L 1.379(9) . ?
C02I C04F 1.371(10) . ?
C02J H02J 0.9500 . ?
C02J C03C 1.400(8) . ?
C02J C03W 1.374(8) . ?
C02K H02K 0.9500 . ?
C02K C037 1.385(9) . ?
C02M H02M 0.9500 . ?
C02M C03Q 1.415(9) . ?
C02M C04C 1.358(10) . ?
C02N C03F 1.388(10) . ?
C02N C03Q 1.405(8) . ?
C02O H02O 0.9500 . ?
C02O C035 1.382(9) . ?
C02P H02P 0.9500 . ?
C17 C20 1.496(8) . ?
C02R C03N 1.389(9) . ?
C02S H02S 0.9500 . ?
C02S C03X 1.416(8) . ?
C02T H02T 0.9500 . ?
C02T C03A 1.385(9) . ?
C19 H19 0.9500 . ?
C19 C15 1.352(10) . ?
C19 C16 1.401(9) . ?
C02V H02V 0.9500 . ?
C02V C03Z 1.381(11) . ?
C02V C043 1.400(10) . ?
C02W H02W 0.9500 . ?
C02Y H02Y 0.9500 . ?
C02Y C038 1.356(11) . ?
C02Y C04A 1.379(12) . ?
C30 H30 0.9500 . ?
C30 C32 1.358(9) . ?
C11 C15 1.383(8) . ?
C20 C23 1.395(8) . ?
C14 H14 0.9500 . ?
C3 H3 0.9500 . ?
C034 C037 1.408(9) . ?
C035 H035 0.9500 . ?
C036 C048 1.376(9) . ?
C037 H037 0.9500 . ?
C038 H038 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.424(10) . ?
C03A H03A 0.9500 . ?
C03B H03B 0.9500 . ?
C03B C043 1.381(9) . ?
C03C C03J 1.390(8) . ?
C12 H12 0.9500 . ?
C12 C16 1.395(9) . ?
C03E C03Q 1.461(9) . ?
C03E C03S 1.367(8) . ?
C03F H03F 0.9500 . ?
C03F C041 1.414(10) . ?
C03G H03G 0.9500 . ?
C03G C040 1.398(11) . ?
C23 H23 0.9500 . ?
C03I H03I 0.9500 . ?
C03I C042 1.385(10) . ?
C03J H03J 0.9500 . ?
C03J C04B 1.369(8) . ?
C03K H03K 0.9500 . ?
C03K C046 1.421(10) . ?
C15 H15 0.9500 . ?
C03M H03M 0.9500 . ?
C03M C03T 1.411(9) . ?
C03N H03N 0.9500 . ?
C03O C03W 1.405(8) . ?
C03O C04B 1.384(9) . ?
C03P H03P 0.9500 . ?
C03P C04A 1.380(11) . ?
C16 H16 0.9500 . ?
C03T H03T 0.9500 . ?
C03U H03U 0.9500 . ?
C03U C048 1.377(9) . ?
C03V H03V 0.9500 . ?
C03V C04E 1.342(13) . ?
C03W H03W 0.9500 . ?
C03X C04D 1.405(12) . ?
C33 H33 0.9500 . ?
C03Z H03Z 0.9500 . ?
C040 H040 0.9500 . ?
C040 C042 1.367(11) . ?
C041 H041 0.9500 . ?
C041 C04C 1.401(10) . ?
C042 H042 0.9500 . ?
C043 H043 0.9500 . ?
C044 H044 0.9500 . ?
C044 C049 1.399(10) . ?
C045 H045 0.9500 . ?
C045 C049 1.391(9) . ?
C046 H046 0.9500 . ?
C046 C047 1.355(10) . ?
C047 H047 0.9500 . ?
C048 H048 0.9500 . ?
C049 H049 0.9500 . ?
C04A H04A 0.9500 . ?
C04B H04B 0.9500 . ?
C04C H04C 0.9500 . ?
C04D H04D 0.9500 . ?
C04D C04G 1.392(10) . ?
C04E H04E 0.9500 . ?
C04E C04G 1.421(12) . ?
C04F H04F 0.9500 . ?
C04G H04G 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 N005 C6 120.3(4) . . ?
C7 N005 C8 115.5(4) . . ?
C8 N005 C6 117.2(5) . . ?
C02L N006 C01V 118.4(5) . . ?
C02L N006 C02N 115.4(5) . . ?
C02N N006 C01V 119.2(5) . . ?
C00O C007 C00N 129.4(5) . . ?
C00O C007 C015 121.2(6) . . ?
C015 C007 C00N 109.0(5) . . ?
O001 N008 O00B 123.7(5) . . ?
O001 N008 C036 118.1(5) . . ?
O00B N008 C036 118.2(5) . . ?
O1 N00A O009 122.7(5) . . ?
O1 N00A C1 118.9(5) . . ?
O009 N00A C1 118.4(5) . . ?
C18 C00C H00C 118.3 . . ?
C18 C00C C9 123.5(5) . . ?
C9 C00C H00C 118.3 . . ?
C026 N00D C03O 119.4(5) . . ?
C034 N00D C026 116.2(4) . . ?
C034 N00D C03O 116.7(5) . . ?
C28 C00F C27 117.6(5) . . ?
C31 C00F C28 122.5(5) . . ?
C31 C00F C27 119.7(6) . . ?
C01L N00H C00Z 118.6(5) . . ?
C01L N00H C02H 116.4(5) . . ?
C02H N00H C00Z 117.6(5) . . ?
C4 C6 N005 119.3(5) . . ?
C5 C6 N005 119.3(5) . . ?
C5 C6 C4 121.3(5) . . ?
C22 C00J H00J 120.8 . . ?
C22 C00J C29 118.5(5) . . ?
C29 C00J H00J 120.8 . . ?
C00Y C00K H00K 118.9 . . ?
C00Y C00K C013 122.1(5) . . ?
C013 C00K H00K 118.9 . . ?
O00E N00L C03C 117.2(5) . . ?
O00G N00L O00E 124.8(5) . . ?
O00G N00L C03C 118.0(5) . . ?
O003 N00M C01H 118.3(4) . . ?
O004 N00M O003 123.4(5) . . ?
O004 N00M C01H 118.4(5) . . ?
C00Q C00N C007 108.9(5) . . ?
C01R C00N C007 129.3(5) . . ?
C01R C00N C00Q 121.6(5) . . ?
C007 C00O H00O 119.6 . . ?
C007 C00O C01I 120.9(5) . . ?
C01I C00O H00O 119.6 . . ?
C01H C00P H00P 121.1 . . ?
C027 C00P H00P 121.1 . . ?
C027 C00P C01H 117.9(5) . . ?
C00N C00Q C00V 108.9(5) . . ?
C00S C00Q C00N 118.2(5) . . ?
C00S C00Q C00V 132.9(5) . . ?
C00C C18 H18 121.1 . . ?
C00C C18 C14 117.8(5) . . ?
C14 C18 H18 121.1 . . ?
C00Q C00S H00S 119.7 . . ?
C03T C00S C00Q 120.5(5) . . ?
C03T C00S H00S 119.7 . . ?
C01M C00T C00W 108.9(5) . . ?
C024 C00T C00W 129.1(5) . . ?
C024 C00T C01M 121.7(6) . . ?
C6 C4 H4 120.3 . . ?
C6 C4 C2 119.3(5) . . ?
C2 C4 H4 120.3 . . ?
C00Q C00V C015 104.3(4) . . ?
C00X C00V C00Q 128.1(5) . . ?
C00X C00V C015 127.6(5) . . ?
C01A C00W C00T 128.6(6) . . ?
C01A C00W C025 121.7(6) . . ?
C025 C00W C00T 109.6(5) . . ?
C00V C00X C00Y 125.1(5) . . ?
C00V C00X C02R 125.3(5) . . ?
C00Y C00X C02R 109.4(4) . . ?
C00K C00Y C00X 125.0(5) . . ?
C00K C00Y C034 118.9(5) . . ?
C034 C00Y C00X 115.9(5) . . ?
C027 C00Z N00H 120.9(5) . . ?
C028 C00Z N00H 120.5(5) . . ?
C028 C00Z C027 118.6(5) . . ?
C00F C28 H28 120.1 . . ?
C25 C28 C00F 119.8(5) . . ?
C25 C28 H28 120.1 . . ?
C01W C011 C02F 117.6(7) . . ?
C01W C011 C02X 131.6(6) . . ?
C02X C011 C02F 110.7(5) . . ?
C29 C26 H26 119.5 . . ?
C29 C26 C23 121.0(6) . . ?
C23 C26 H26 119.5 . . ?
C00K C013 H013 120.9 . . ?
C02K C013 C00K 118.3(5) . . ?
C02K C013 H013 120.9 . . ?
C01Z C014 C01M 125.6(6) . . ?
C01Z C014 C025 129.0(5) . . ?
C025 C014 C01M 105.4(5) . . ?
C007 C015 C00V 108.0(5) . . ?
C02P C015 C007 118.6(5) . . ?
C02P C015 C00V 133.3(5) . . ?
C00C C9 C7 117.4(5) . . ?
C00C C9 C13 125.1(5) . . ?
C7 C9 C13 117.3(5) . . ?
C00F C31 H31 119.0 . . ?
C33 C31 C00F 121.9(6) . . ?
C33 C31 H31 119.0 . . ?
C27 C24 H24 119.7 . . ?
C21 C24 H24 119.7 . . ?
C21 C24 C27 120.6(5) . . ?
C00J C22 C25 127.9(5) . . ?
C00J C22 C20 122.6(6) . . ?
C20 C22 C25 109.1(5) . . ?
C00W C01A H01A 120.3 . . ?
C045 C01A C00W 119.3(6) . . ?
C045 C01A H01A 120.3 . . ?
C01V C01B H01B 120.2 . . ?
C01V C01B C02B 119.6(5) . . ?
C02B C01B H01B 120.2 . . ?
C01W C01C C03V 124.9(6) . . ?
C01W C01C C03X 118.9(5) . . ?
C03V C01C C03X 116.1(7) . . ?
C6 C5 H5 120.2 . . ?
C6 C5 C3 119.5(5) . . ?
C3 C5 H5 120.2 . . ?
C01F C01E H01E 120.3 . . ?
C03A C01E H01E 120.3 . . ?
C03A C01E C01F 119.4(6) . . ?
C01E C01F H01F 119.6 . . ?
C01Q C01F C01E 120.7(6) . . ?
C01Q C01F H01F 119.6 . . ?
C24 C27 C00F 120.6(5) . . ?
C24 C27 C30 121.7(5) . . ?
C30 C27 C00F 117.7(5) . . ?
C00P C01H N00M 118.7(5) . . ?
C02D C01H N00M 119.5(5) . . ?
C02D C01H C00P 121.8(5) . . ?
C00O C01I C01Y 118.5(5) . . ?
C00O C01I C038 123.0(6) . . ?
C01Y C01I C038 118.4(6) . . ?
C7 C10 H10 119.8 . . ?
C14 C10 H10 119.8 . . ?
C14 C10 C7 120.5(5) . . ?
C4 C2 H2 120.8 . . ?
C1 C2 C4 118.3(5) . . ?
C1 C2 H2 120.8 . . ?
N00H C01L C01Q 118.2(5) . . ?
C02T C01L N00H 122.4(5) . . ?
C02T C01L C01Q 119.4(5) . . ?
C00T C01M C014 107.5(6) . . ?
C01S C01M C00T 118.6(5) . . ?
C01S C01M C014 133.4(5) . . ?
C02X C01N H01N 120.0 . . ?
C047 C01N H01N 120.0 . . ?
C047 C01N C02X 120.1(6) . . ?
C2 C1 N00A 118.4(5) . . ?
C2 C1 C3 123.2(5) . . ?
C3 C1 N00A 118.4(5) . . ?
C02X C01P C03S 107.1(6) . . ?
C03K C01P C02X 119.8(6) . . ?
C03K C01P C03S 133.1(5) . . ?
C01F C01Q C01L 118.9(5) . . ?
C01F C01Q C01Z 125.4(5) . . ?
C01L C01Q C01Z 115.6(5) . . ?
C00N C01R H01R 120.1 . . ?
C00N C01R C03M 119.8(6) . . ?
C03M C01R H01R 120.1 . . ?
C01M C01S H01S 119.3 . . ?
C01M C01S C02A 121.5(5) . . ?
C02A C01S H01S 119.3 . . ?
C28 C25 C22 129.2(5) . . ?
C28 C25 C21 121.9(5) . . ?
C21 C25 C22 108.6(5) . . ?
C24 C21 C25 118.9(5) . . ?
C24 C21 C17 133.2(5) . . ?
C25 C21 C17 107.8(5) . . ?
C01B C01V N006 120.0(5) . . ?
C01B C01V C03U 120.9(5) . . ?
C03U C01V N006 119.2(5) . . ?
C011 C01W C01C 122.3(6) . . ?
C011 C01W H01W 118.8 . . ?
C01C C01W H01W 118.8 . . ?
C00J C29 C26 119.8(5) . . ?
C00J C29 H29 120.1 . . ?
C26 C29 H29 120.1 . . ?
C01I C01Y C02P 119.1(5) . . ?
C03P C01Y C01I 119.1(6) . . ?
C03P C01Y C02P 121.6(6) . . ?
C014 C01Z C01Q 124.1(6) . . ?
C014 C01Z C02E 126.1(5) . . ?
C02E C01Z C01Q 109.3(4) . . ?
C02L C020 C02W 118.5(6) . . ?
C02L C020 C03E 117.0(5) . . ?
C02W C020 C03E 124.4(5) . . ?
N005 C7 C9 118.0(5) . . ?
C10 C7 N005 122.2(5) . . ?
C10 C7 C9 119.8(5) . . ?
C035 C022 H022 120.0 . . ?
C035 C022 C03N 120.1(6) . . ?
C03N C022 H022 120.0 . . ?
C02W C023 H023 119.5 . . ?
C02W C023 C04F 121.0(7) . . ?
C04F C023 H023 119.5 . . ?
C00T C024 H024 120.2 . . ?
C00T C024 C02C 119.7(5) . . ?
C02C C024 H024 120.2 . . ?
C00W C025 C014 108.1(5) . . ?
C044 C025 C00W 118.3(6) . . ?
C044 C025 C014 133.4(5) . . ?
N00D C026 C02R 117.5(5) . . ?
C02O C026 N00D 124.0(5) . . ?
C02O C026 C02R 118.5(5) . . ?
C00P C027 C00Z 121.9(5) . . ?
C00P C027 H027 119.0 . . ?
C00Z C027 H027 119.0 . . ?
C00Z C028 H028 119.3 . . ?
C00Z C028 C02D 121.3(5) . . ?
C02D C028 H028 119.3 . . ?
C11 C8 N005 118.7(5) . . ?
C12 C8 N005 121.9(5) . . ?
C12 C8 C11 119.4(5) . . ?
C02C C02A C01S 119.3(6) . . ?
C03B C02A C01S 121.4(5) . . ?
C03B C02A C02C 119.2(5) . . ?
C01B C02B H02B 120.9 . . ?
C036 C02B C01B 118.2(5) . . ?
C036 C02B H02B 120.9 . . ?
C024 C02C C02A 119.0(5) . . ?
C024 C02C C03Z 122.3(6) . . ?
C02A C02C C03Z 118.7(6) . . ?
C01H C02D C028 118.4(5) . . ?
C01H C02D H02D 120.8 . . ?
C028 C02D H02D 120.8 . . ?
C02H C02E C01Z 117.1(5) . . ?
C03G C02E C01Z 123.9(5) . . ?
C03G C02E C02H 118.8(6) . . ?
C011 C02F C03S 106.0(6) . . ?
C02S C02F C011 120.4(6) . . ?
C02S C02F C03S 133.5(5) . . ?
C9 C13 C11 109.7(4) . . ?
C17 C13 C9 125.3(5) . . ?
C17 C13 C11 124.8(5) . . ?
C02E C02H N00H 117.6(5) . . ?
C03I C02H N00H 122.4(5) . . ?
C03I C02H C02E 120.0(5) . . ?
C02L C02I H02I 119.8 . . ?
C04F C02I H02I 119.8 . . ?
C04F C02I C02L 120.4(6) . . ?
C03C C02J H02J 120.7 . . ?
C03W C02J H02J 120.7 . . ?
C03W C02J C03C 118.7(5) . . ?
C013 C02K H02K 119.5 . . ?
C037 C02K C013 121.0(6) . . ?
C037 C02K H02K 119.5 . . ?
C020 C02L N006 117.6(6) . . ?
C02I C02L N006 122.2(5) . . ?
C02I C02L C020 120.2(6) . . ?
C03Q C02M H02M 118.3 . . ?
C04C C02M H02M 118.3 . . ?
C04C C02M C03Q 123.4(6) . . ?
C03F C02N N006 121.4(5) . . ?
C03F C02N C03Q 119.9(6) . . ?
C03Q C02N N006 118.7(6) . . ?
C026 C02O H02O 119.5 . . ?
C035 C02O C026 121.0(5) . . ?
C035 C02O H02O 119.5 . . ?
C015 C02P C01Y 121.3(5) . . ?
C015 C02P H02P 119.4 . . ?
C01Y C02P H02P 119.4 . . ?
C13 C17 C21 127.4(5) . . ?
C13 C17 C20 127.8(5) . . ?
C20 C17 C21 104.8(4) . . ?
C026 C02R C00X 116.3(5) . . ?
C03N C02R C00X 124.8(5) . . ?
C03N C02R C026 118.8(5) . . ?
C02F C02S H02S 119.0 . . ?
C02F C02S C03X 122.1(6) . . ?
C03X C02S H02S 119.0 . . ?
C01L C02T H02T 120.6 . . ?
C03A C02T C01L 118.9(6) . . ?
C03A C02T H02T 120.6 . . ?
C15 C19 H19 120.4 . . ?
C15 C19 C16 119.2(6) . . ?
C16 C19 H19 120.4 . . ?
C03Z C02V H02V 119.7 . . ?
C03Z C02V C043 120.5(6) . . ?
C043 C02V H02V 119.7 . . ?
C020 C02W H02W 120.1 . . ?
C023 C02W C020 119.7(6) . . ?
C023 C02W H02W 120.1 . . ?
C011 C02X C01N 131.8(6) . . ?
C011 C02X C01P 110.1(6) . . ?
C01N C02X C01P 117.9(6) . . ?
C038 C02Y H02Y 119.7 . . ?
C038 C02Y C04A 120.6(6) . . ?
C04A C02Y H02Y 119.7 . . ?
C27 C30 H30 119.5 . . ?
C32 C30 C27 121.0(6) . . ?
C32 C30 H30 119.5 . . ?
C8 C11 C13 117.0(5) . . ?
C15 C11 C8 118.8(5) . . ?
C15 C11 C13 124.1(5) . . ?
C22 C20 C17 108.5(5) . . ?
C23 C20 C22 117.5(5) . . ?
C23 C20 C17 133.8(5) . . ?
C18 C14 H14 119.8 . . ?
C10 C14 C18 120.3(6) . . ?
C10 C14 H14 119.8 . . ?
C5 C3 H3 120.9 . . ?
C1 C3 C5 118.3(5) . . ?
C1 C3 H3 120.9 . . ?
N00D C034 C00Y 118.9(5) . . ?
N00D C034 C037 122.7(5) . . ?
C037 C034 C00Y 118.4(5) . . ?
C022 C035 C02O 120.0(5) . . ?
C022 C035 H035 120.0 . . ?
C02O C035 H035 120.0 . . ?
C02B C036 N008 118.2(5) . . ?
C048 C036 N008 118.6(5) . . ?
C048 C036 C02B 123.2(5) . . ?
C02K C037 C034 120.2(5) . . ?
C02K C037 H037 119.9 . . ?
C034 C037 H037 119.9 . . ?
C01I C038 H038 119.7 . . ?
C02Y C038 C01I 120.6(6) . . ?
C02Y C038 H038 119.7 . . ?
C30 C32 H32 119.5 . . ?
C30 C32 C33 121.1(6) . . ?
C33 C32 H32 119.5 . . ?
C01E C03A C02T 121.6(6) . . ?
C01E C03A H03A 119.2 . . ?
C02T C03A H03A 119.2 . . ?
C02A C03B H03B 119.5 . . ?
C043 C03B C02A 121.1(6) . . ?
C043 C03B H03B 119.5 . . ?
C02J C03C N00L 119.6(5) . . ?
C03J C03C N00L 118.7(5) . . ?
C03J C03C C02J 121.7(5) . . ?
C8 C12 H12 120.4 . . ?
C16 C12 C8 119.2(5) . . ?
C16 C12 H12 120.4 . . ?
C03Q C03E C020 109.4(5) . . ?
C03S C03E C020 124.6(6) . . ?
C03S C03E C03Q 125.7(6) . . ?
C02N C03F H03F 120.1 . . ?
C02N C03F C041 119.8(6) . . ?
C041 C03F H03F 120.1 . . ?
C02E C03G H03G 120.0 . . ?
C02E C03G C040 120.0(6) . . ?
C040 C03G H03G 120.0 . . ?
C26 C23 H23 120.0 . . ?
C20 C23 C26 120.1(5) . . ?
C20 C23 H23 120.0 . . ?
C02H C03I H03I 120.5 . . ?
C042 C03I C02H 119.1(6) . . ?
C042 C03I H03I 120.5 . . ?
C03C C03J H03J 120.6 . . ?
C04B C03J C03C 118.7(6) . . ?
C04B C03J H03J 120.6 . . ?
C01P C03K H03K 120.2 . . ?
C01P C03K C046 119.6(6) . . ?
C046 C03K H03K 120.2 . . ?
C19 C15 C11 122.2(5) . . ?
C19 C15 H15 118.9 . . ?
C11 C15 H15 118.9 . . ?
C01R C03M H03M 120.2 . . ?
C01R C03M C03T 119.5(6) . . ?
C03T C03M H03M 120.2 . . ?
C022 C03N C02R 120.6(6) . . ?
C022 C03N H03N 119.7 . . ?
C02R C03N H03N 119.7 . . ?
C03W C03O N00D 119.8(5) . . ?
C04B C03O N00D 119.9(5) . . ?
C04B C03O C03W 120.1(5) . . ?
C01Y C03P H03P 119.8 . . ?
C04A C03P C01Y 120.5(7) . . ?
C04A C03P H03P 119.8 . . ?
C02M C03Q C03E 126.2(5) . . ?
C02N C03Q C02M 117.4(6) . . ?
C02N C03Q C03E 116.4(6) . . ?
C19 C16 H16 119.9 . . ?
C12 C16 C19 120.3(6) . . ?
C12 C16 H16 119.9 . . ?
C02F C03S C01P 105.3(4) . . ?
C03E C03S C01P 128.0(6) . . ?
C03E C03S C02F 126.7(6) . . ?
C00S C03T C03M 120.2(6) . . ?
C00S C03T H03T 119.9 . . ?
C03M C03T H03T 119.9 . . ?
C01V C03U H03U 120.1 . . ?
C048 C03U C01V 119.8(6) . . ?
C048 C03U H03U 120.1 . . ?
C01C C03V H03V 118.9 . . ?
C04E C03V C01C 122.1(7) . . ?
C04E C03V H03V 118.9 . . ?
C02J C03W C03O 119.9(6) . . ?
C02J C03W H03W 120.0 . . ?
C03O C03W H03W 120.0 . . ?
C02S C03X C01C 118.4(7) . . ?
C04D C03X C01C 120.0(6) . . ?
C04D C03X C02S 121.6(6) . . ?
C31 C33 C32 118.4(6) . . ?
C31 C33 H33 120.8 . . ?
C32 C33 H33 120.8 . . ?
C02C C03Z H03Z 119.8 . . ?
C02V C03Z C02C 120.3(6) . . ?
C02V C03Z H03Z 119.8 . . ?
C03G C040 H040 119.9 . . ?
C042 C040 C03G 120.3(6) . . ?
C042 C040 H040 119.9 . . ?
C03F C041 H041 119.8 . . ?
C04C C041 C03F 120.4(6) . . ?
C04C C041 H041 119.8 . . ?
C03I C042 H042 119.4 . . ?
C040 C042 C03I 121.3(7) . . ?
C040 C042 H042 119.4 . . ?
C02V C043 H043 120.0 . . ?
C03B C043 C02V 120.0(6) . . ?
C03B C043 H043 120.0 . . ?
C025 C044 H044 119.9 . . ?
C025 C044 C049 120.2(6) . . ?
C049 C044 H044 119.9 . . ?
C01A C045 H045 120.5 . . ?
C049 C045 C01A 119.1(6) . . ?
C049 C045 H045 120.5 . . ?
C03K C046 H046 120.2 . . ?
C047 C046 C03K 119.5(7) . . ?
C047 C046 H046 120.2 . . ?
C01N C047 C046 122.9(7) . . ?
C01N C047 H047 118.5 . . ?
C046 C047 H047 118.5 . . ?
C036 C048 C03U 118.2(5) . . ?
C036 C048 H048 120.9 . . ?
C03U C048 H048 120.9 . . ?
C044 C049 H049 119.4 . . ?
C045 C049 C044 121.3(6) . . ?
C045 C049 H049 119.4 . . ?
C02Y C04A C03P 120.9(7) . . ?
C02Y C04A H04A 119.6 . . ?
C03P C04A H04A 119.6 . . ?
C03J C04B C03O 120.9(6) . . ?
C03J C04B H04B 119.6 . . ?
C03O C04B H04B 119.6 . . ?
C02M C04C C041 118.0(6) . . ?
C02M C04C H04C 121.0 . . ?
C041 C04C H04C 121.0 . . ?
C03X C04D H04D 118.9 . . ?
C04G C04D C03X 122.2(7) . . ?
C04G C04D H04D 118.9 . . ?
C03V C04E H04E 118.7 . . ?
C03V C04E C04G 122.6(6) . . ?
C04G C04E H04E 118.7 . . ?
C023 C04F H04F 120.1 . . ?
C02I C04F C023 119.7(7) . . ?
C02I C04F H04F 120.1 . . ?
C04D C04G C04E 116.7(8) . . ?
C04D C04G H04G 121.7 . . ?
C04E C04G H04G 121.7 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.324
_oxdiff_exptl_absorpt_empirical_full_min 0.761
