# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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. 
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data_221020yfc114_0ma
_database_code_depnum_ccdc_archive 'CCDC 2215066'
loop_
_audit_author_name
_audit_author_address
'Fuchao Yu'
;Kunming University of Sciebce and Technology
China
;
_audit_update_record             
;
2022-10-25 deposited with the CCDC.	2023-09-29 downloaded from the CCDC.
;
_audit_creation_date             2022-10-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H24 N2 O6'
_chemical_formula_sum            'C24 H24 N2 O6'
_chemical_formula_weight         436.45
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.4676(18)
_cell_length_b                   13.5988(13)
_cell_length_c                   9.4095(10)
_cell_angle_alpha                90
_cell_angle_beta                 93.711(2)
_cell_angle_gamma                90
_cell_volume                     2230.4(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3671
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      24.71
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.981
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0610 before and 0.0366 after correction.
The Ratio of minimum to maximum transmission is 0.9210.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_unetI/netI     0.0367
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13236
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.556
_diffrn_reflns_theta_min         1.168
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3418
_reflns_number_total             5025
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.270
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         5025
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0888
_refine_ls_R_factor_gt           0.0572
_refine_ls_restrained_S_all      1.085
_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)+(0.0862P)²+0.3351P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1393
_refine_ls_wR_factor_ref         0.1658
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00F(H00A,H00B), C00N(H00C,H00D)
2.b Aromatic/amide H refined with riding coordinates:
 C006(H006), C00I(H00I), C00K(H00K), C00M(H00M), C00O(H00O), C00Q(H00Q),
 C00R(H00R), C00S(H00S), C00T(H00T)
2.c Tetrahedral OH refined with riding coordinates:
 O001(H001)
2.d Idealised Me refined as rotating group:
 C00U(H00E,H00F,H00G), C00V(H00H,H00J,H00L), C00W(H00N,H00P,H00U)
2.e Idealised tetrahedral OH refined as rotating group:
 O002(H002)
;
_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 0.12406(8) 0.60994(11) 0.50897(14) 0.0441(4) Uani 1 1 d . . . . .
H001 H 0.133653 0.664395 0.477182 0.066 Uiso 1 1 calc R U . . .
O002 O 0.25440(9) 0.68981(10) 0.43876(15) 0.0497(4) Uani 1 1 d . . . . .
H002 H 0.258842 0.681142 0.353451 0.075 Uiso 1 1 calc R U . . .
O003 O 0.28345(9) 0.54334(13) 0.27913(14) 0.0562(4) Uani 1 1 d . . . . .
O004 O 0.42657(8) 0.58666(12) 0.50562(15) 0.0520(4) Uani 1 1 d . . . . .
N005 N 0.20406(8) 0.62499(11) 0.72837(15) 0.0343(4) Uani 1 1 d . . . . .
C006 C 0.28118(10) 0.62795(13) 0.75448(19) 0.0339(4) Uani 1 1 d . . . . .
H006 H 0.304669 0.641365 0.843903 0.041 Uiso 1 1 calc R U . . .
C007 C 0.15010(10) 0.62401(13) 0.83555(18) 0.0322(4) Uani 1 1 d . . . . .
C008 C 0.18861(10) 0.57359(13) 0.58622(18) 0.0331(4) Uani 1 1 d . . . . .
C009 C 0.28000(10) 0.51950(15) 0.40274(19) 0.0388(4) Uani 1 1 d . . . . .
C00A C 0.32096(10) 0.60963(13) 0.63867(19) 0.0338(4) Uani 1 1 d . . . . .
C00B C 0.26394(10) 0.59865(13) 0.51201(18) 0.0335(4) Uani 1 1 d . . . . .
C00C C 0.45856(10) 0.61619(14) 0.7496(2) 0.0371(4) Uani 1 1 d . . . . .
C00D C 0.40215(11) 0.60476(13) 0.6229(2) 0.0371(4) Uani 1 1 d . . . . .
N00E N 0.62601(12) 0.63624(17) 1.0916(2) 0.0629(6) Uani 1 1 d . . . . .
C00F C 0.17921(11) 0.46434(13) 0.61821(18) 0.0372(4) Uani 1 1 d . . . . .
H00A H 0.126323 0.453185 0.639605 0.045 Uiso 1 1 calc R U . . .
H00B H 0.211019 0.449023 0.703666 0.045 Uiso 1 1 calc R U . . .
C00G C 0.04214(11) 0.62498(14) 1.0449(2) 0.0404(4) Uani 1 1 d . . . . .
C00H C 0.19911(12) 0.39115(14) 0.5014(2) 0.0436(5) Uani 1 1 d . . . . .
C00I C 0.45605(11) 0.69239(16) 0.8466(2) 0.0473(5) Uani 1 1 d . . . . .
H00I H 0.416934 0.738757 0.836658 0.057 Uiso 1 1 calc R U . . .
O00J O 0.67942(12) 0.57879(17) 1.0965(2) 0.0960(7) Uani 1 1 d . . . . .
C00K C 0.51789(12) 0.54766(16) 0.7642(2) 0.0465(5) Uani 1 1 d . . . . .
H00K H 0.520561 0.497340 0.697751 0.056 Uiso 1 1 calc R U . . .
O00L O 0.61979(13) 0.7004(2) 1.1801(2) 0.1066(8) Uani 1 1 d . . . . .
C00M C 0.17059(12) 0.59487(17) 0.9735(2) 0.0487(5) Uani 1 1 d . . . . .
H00M H 0.220401 0.573748 0.997394 0.058 Uiso 1 1 calc R U . . .
C00N C 0.27989(13) 0.41610(15) 0.4540(2) 0.0481(5) Uani 1 1 d . . . . .
H00C H 0.317636 0.408107 0.533421 0.058 Uiso 1 1 calc R U . . .
H00D H 0.293074 0.372013 0.378332 0.058 Uiso 1 1 calc R U . . .
C00O C 0.07550(12) 0.65516(17) 0.8036(2) 0.0480(5) Uani 1 1 d . . . . .
H00O H 0.060748 0.676964 0.712268 0.058 Uiso 1 1 calc R U . . .
C00P C 0.56779(11) 0.62930(17) 0.9716(2) 0.0462(5) Uani 1 1 d . . . . .
C00Q C 0.51131(12) 0.70013(17) 0.9582(2) 0.0508(5) Uani 1 1 d . . . . .
H00Q H 0.510358 0.751883 1.022709 0.061 Uiso 1 1 calc R U . . .
C00R C 0.02292(12) 0.65393(18) 0.9071(2) 0.0516(6) Uani 1 1 d . . . . .
H00R H -0.027271 0.673372 0.882808 0.062 Uiso 1 1 calc R U . . .
C00S C 0.11753(13) 0.59694(18) 1.0758(2) 0.0523(6) Uani 1 1 d . . . . .
H00S H 0.132935 0.578904 1.168633 0.063 Uiso 1 1 calc R U . . .
C00T C 0.57261(12) 0.55372(17) 0.8761(2) 0.0515(5) Uani 1 1 d . . . . .
H00T H 0.611907 0.507638 0.886550 0.062 Uiso 1 1 calc R U . . .
C00U C -0.01652(14) 0.62080(18) 1.1555(2) 0.0568(6) Uani 1 1 d . . . . .
H00E H -0.046112 0.680335 1.152082 0.085 Uiso 1 1 calc R U . . .
H00F H 0.009139 0.613773 1.248315 0.085 Uiso 1 1 calc R U . . .
H00G H -0.049918 0.565629 1.136591 0.085 Uiso 1 1 calc R U . . .
C00V C 0.13905(14) 0.39362(18) 0.3754(2) 0.0586(6) Uani 1 1 d . . . . .
H00H H 0.090058 0.374521 0.407118 0.088 Uiso 1 1 calc R U . . .
H00J H 0.153751 0.348882 0.303134 0.088 Uiso 1 1 calc R U . . .
H00L H 0.135690 0.459012 0.337093 0.088 Uiso 1 1 calc R U . . .
C00W C 0.20118(16) 0.28757(16) 0.5658(3) 0.0657(7) Uani 1 1 d . . . . .
H00N H 0.239085 0.285121 0.644273 0.099 Uiso 1 1 calc R U . . .
H00P H 0.213988 0.240847 0.494623 0.099 Uiso 1 1 calc R U . . .
H00U H 0.151766 0.271878 0.598773 0.099 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 H001 0.8200 . ?
O001 C008 1.392(2) . ?
O002 H002 0.8200 . ?
O002 C00B 1.423(2) . ?
O003 C009 1.213(2) . ?
O004 C00D 1.233(2) . ?
N005 C006 1.354(2) . ?
N005 C007 1.424(2) . ?
N005 C008 1.518(2) . ?
C006 H006 0.9300 . ?
C006 C00A 1.353(2) . ?
C007 C00M 1.382(3) . ?
C007 C00O 1.385(3) . ?
C008 C00B 1.567(2) . ?
C008 C00F 1.527(3) . ?
C009 C00B 1.527(3) . ?
C009 C00N 1.487(3) . ?
C00A C00B 1.510(2) . ?
C00A C00D 1.437(3) . ?
C00C C00D 1.504(3) . ?
C00C C00I 1.383(3) . ?
C00C C00K 1.394(3) . ?
N00E O00J 1.216(3) . ?
N00E O00L 1.216(3) . ?
N00E C00P 1.472(3) . ?
C00F H00A 0.9700 . ?
C00F H00B 0.9700 . ?
C00F C00H 1.539(3) . ?
C00G C00R 1.376(3) . ?
C00G C00S 1.384(3) . ?
C00G C00U 1.508(3) . ?
C00H C00N 1.545(3) . ?
C00H C00V 1.532(3) . ?
C00H C00W 1.533(3) . ?
C00I H00I 0.9300 . ?
C00I C00Q 1.384(3) . ?
C00K H00K 0.9300 . ?
C00K C00T 1.378(3) . ?
C00M H00M 0.9300 . ?
C00M C00S 1.380(3) . ?
C00N H00C 0.9700 . ?
C00N H00D 0.9700 . ?
C00O H00O 0.9300 . ?
C00O C00R 1.381(3) . ?
C00P C00Q 1.379(3) . ?
C00P C00T 1.372(3) . ?
C00Q H00Q 0.9300 . ?
C00R H00R 0.9300 . ?
C00S H00S 0.9300 . ?
C00T H00T 0.9300 . ?
C00U H00E 0.9600 . ?
C00U H00F 0.9600 . ?
C00U H00G 0.9600 . ?
C00V H00H 0.9600 . ?
C00V H00J 0.9600 . ?
C00V H00L 0.9600 . ?
C00W H00N 0.9600 . ?
C00W H00P 0.9600 . ?
C00W H00U 0.9600 . ?

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
C008 O001 H001 109.5 . . ?
C00B O002 H002 109.5 . . ?
C006 N005 C007 124.60(15) . . ?
C006 N005 C008 106.96(14) . . ?
C007 N005 C008 122.11(14) . . ?
N005 C006 H006 123.1 . . ?
C00A C006 N005 113.90(16) . . ?
C00A C006 H006 123.1 . . ?
C00M C007 N005 121.64(16) . . ?
C00M C007 C00O 118.32(17) . . ?
C00O C007 N005 120.02(16) . . ?
O001 C008 N005 112.86(14) . . ?
O001 C008 C00B 111.43(14) . . ?
O001 C008 C00F 110.77(15) . . ?
N005 C008 C00B 100.72(13) . . ?
N005 C008 C00F 106.84(13) . . ?
C00F C008 C00B 113.82(15) . . ?
O003 C009 C00B 118.69(18) . . ?
O003 C009 C00N 124.43(18) . . ?
C00N C009 C00B 116.36(16) . . ?
C006 C00A C00B 107.88(15) . . ?
C006 C00A C00D 130.80(17) . . ?
C00D C00A C00B 121.25(16) . . ?
O002 C00B C008 109.27(14) . . ?
O002 C00B C009 107.99(14) . . ?
O002 C00B C00A 110.28(15) . . ?
C009 C00B C008 110.06(15) . . ?
C00A C00B C008 101.52(13) . . ?
C00A C00B C009 117.42(15) . . ?
C00I C00C C00D 123.57(17) . . ?
C00I C00C C00K 119.39(18) . . ?
C00K C00C C00D 116.98(17) . . ?
O004 C00D C00A 120.15(18) . . ?
O004 C00D C00C 118.87(17) . . ?
C00A C00D C00C 120.90(16) . . ?
O00J N00E O00L 122.5(2) . . ?
O00J N00E C00P 118.6(2) . . ?
O00L N00E C00P 118.9(2) . . ?
C008 C00F H00A 108.0 . . ?
C008 C00F H00B 108.0 . . ?
C008 C00F C00H 117.15(15) . . ?
H00A C00F H00B 107.3 . . ?
C00H C00F H00A 108.0 . . ?
C00H C00F H00B 108.0 . . ?
C00R C00G C00S 116.60(18) . . ?
C00R C00G C00U 121.73(19) . . ?
C00S C00G C00U 121.64(19) . . ?
C00F C00H C00N 108.48(15) . . ?
C00V C00H C00F 111.31(18) . . ?
C00V C00H C00N 111.36(18) . . ?
C00V C00H C00W 108.87(18) . . ?
C00W C00H C00F 108.24(17) . . ?
C00W C00H C00N 108.50(18) . . ?
C00C C00I H00I 119.8 . . ?
C00C C00I C00Q 120.50(19) . . ?
C00Q C00I H00I 119.8 . . ?
C00C C00K H00K 119.7 . . ?
C00T C00K C00C 120.66(19) . . ?
C00T C00K H00K 119.7 . . ?
C007 C00M H00M 119.8 . . ?
C00S C00M C007 120.33(19) . . ?
C00S C00M H00M 119.8 . . ?
C009 C00N C00H 108.77(17) . . ?
C009 C00N H00C 109.9 . . ?
C009 C00N H00D 109.9 . . ?
C00H C00N H00C 109.9 . . ?
C00H C00N H00D 109.9 . . ?
H00C C00N H00D 108.3 . . ?
C007 C00O H00O 119.9 . . ?
C00R C00O C007 120.19(18) . . ?
C00R C00O H00O 119.9 . . ?
C00Q C00P N00E 118.7(2) . . ?
C00T C00P N00E 118.8(2) . . ?
C00T C00P C00Q 122.50(19) . . ?
C00I C00Q H00Q 120.8 . . ?
C00P C00Q C00I 118.43(19) . . ?
C00P C00Q H00Q 120.8 . . ?
C00G C00R C00O 122.35(19) . . ?
C00G C00R H00R 118.8 . . ?
C00O C00R H00R 118.8 . . ?
C00G C00S H00S 118.9 . . ?
C00M C00S C00G 122.16(19) . . ?
C00M C00S H00S 118.9 . . ?
C00K C00T H00T 120.8 . . ?
C00P C00T C00K 118.47(19) . . ?
C00P C00T H00T 120.8 . . ?
C00G C00U H00E 109.5 . . ?
C00G C00U H00F 109.5 . . ?
C00G C00U H00G 109.5 . . ?
H00E C00U H00F 109.5 . . ?
H00E C00U H00G 109.5 . . ?
H00F C00U H00G 109.5 . . ?
C00H C00V H00H 109.5 . . ?
C00H C00V H00J 109.5 . . ?
C00H C00V H00L 109.5 . . ?
H00H C00V H00J 109.5 . . ?
H00H C00V H00L 109.5 . . ?
H00J C00V H00L 109.5 . . ?
C00H C00W H00N 109.5 . . ?
C00H C00W H00P 109.5 . . ?
C00H C00W H00U 109.5 . . ?
H00N C00W H00P 109.5 . . ?
H00N C00W H00U 109.5 . . ?
H00P C00W H00U 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O001 C008 C00B O002 31.6(2) . . . . ?
O001 C008 C00B C009 -86.81(18) . . . . ?
O001 C008 C00B C00A 148.11(14) . . . . ?
O001 C008 C00F C00H 83.6(2) . . . . ?
O003 C009 C00B O002 1.1(2) . . . . ?
O003 C009 C00B C008 120.35(18) . . . . ?
O003 C009 C00B C00A -124.24(19) . . . . ?
O003 C009 C00N C00H -109.2(2) . . . . ?
N005 C006 C00A C00B 4.1(2) . . . . ?
N005 C006 C00A C00D -179.06(18) . . . . ?
N005 C007 C00M C00S 178.43(19) . . . . ?
N005 C007 C00O C00R 179.73(19) . . . . ?
N005 C008 C00B O002 -88.32(16) . . . . ?
N005 C008 C00B C009 153.26(14) . . . . ?
N005 C008 C00B C00A 28.18(16) . . . . ?
N005 C008 C00F C00H -153.08(16) . . . . ?
C006 N005 C007 C00M -21.0(3) . . . . ?
C006 N005 C007 C00O 157.28(19) . . . . ?
C006 N005 C008 O001 -146.32(15) . . . . ?
C006 N005 C008 C00B -27.42(17) . . . . ?
C006 N005 C008 C00F 91.70(17) . . . . ?
C006 C00A C00B O002 94.70(17) . . . . ?
C006 C00A C00B C008 -21.05(18) . . . . ?
C006 C00A C00B C009 -141.06(17) . . . . ?
C006 C00A C00D O004 179.97(19) . . . . ?
C006 C00A C00D C00C 3.2(3) . . . . ?
C007 N005 C006 C00A 168.13(16) . . . . ?
C007 N005 C008 O001 60.5(2) . . . . ?
C007 N005 C008 C00B 179.41(15) . . . . ?
C007 N005 C008 C00F -61.5(2) . . . . ?
C007 C00M C00S C00G 1.9(4) . . . . ?
C007 C00O C00R C00G 1.8(4) . . . . ?
C008 N005 C006 C00A 15.8(2) . . . . ?
C008 N005 C007 C00M 127.3(2) . . . . ?
C008 N005 C007 C00O -54.4(2) . . . . ?
C008 C00F C00H C00N 51.3(2) . . . . ?
C008 C00F C00H C00V -71.5(2) . . . . ?
C008 C00F C00H C00W 168.87(17) . . . . ?
C00B C008 C00F C00H -42.8(2) . . . . ?
C00B C009 C00N C00H 62.4(2) . . . . ?
C00B C00A C00D O004 -3.5(3) . . . . ?
C00B C00A C00D C00C 179.75(16) . . . . ?
C00C C00I C00Q C00P -1.2(3) . . . . ?
C00C C00K C00T C00P -0.7(3) . . . . ?
C00D C00A C00B O002 -82.5(2) . . . . ?
C00D C00A C00B C008 161.72(16) . . . . ?
C00D C00A C00B C009 41.7(2) . . . . ?
C00D C00C C00I C00Q -177.92(19) . . . . ?
C00D C00C C00K C00T 179.06(19) . . . . ?
N00E C00P C00Q C00I -179.0(2) . . . . ?
N00E C00P C00T C00K 179.9(2) . . . . ?
C00F C008 C00B O002 157.74(14) . . . . ?
C00F C008 C00B C009 39.32(19) . . . . ?
C00F C008 C00B C00A -85.77(16) . . . . ?
C00F C00H C00N C009 -57.9(2) . . . . ?
C00I C00C C00D O004 133.3(2) . . . . ?
C00I C00C C00D C00A -49.9(3) . . . . ?
C00I C00C C00K C00T 1.7(3) . . . . ?
O00J N00E C00P C00Q -173.8(2) . . . . ?
O00J N00E C00P C00T 5.0(3) . . . . ?
C00K C00C C00D O004 -43.9(3) . . . . ?
C00K C00C C00D C00A 132.85(19) . . . . ?
C00K C00C C00I C00Q -0.8(3) . . . . ?
O00L N00E C00P C00Q 4.6(3) . . . . ?
O00L N00E C00P C00T -176.6(2) . . . . ?
C00M C007 C00O C00R -1.9(3) . . . . ?
C00N C009 C00B O002 -170.92(16) . . . . ?
C00N C009 C00B C008 -51.7(2) . . . . ?
C00N C009 C00B C00A 63.7(2) . . . . ?
C00O C007 C00M C00S 0.1(3) . . . . ?
C00Q C00P C00T C00K -1.3(3) . . . . ?
C00R C00G C00S C00M -2.0(3) . . . . ?
C00S C00G C00R C00O 0.1(3) . . . . ?
C00T C00P C00Q C00I 2.2(3) . . . . ?
C00U C00G C00R C00O -177.9(2) . . . . ?
C00U C00G C00S C00M 176.1(2) . . . . ?
C00V C00H C00N C009 64.9(2) . . . . ?
C00W C00H C00N C009 -175.29(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
