# Electronic Supplementary Material (ESI) for Materials Advances.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_enbn3
_audit_block_doi                 10.5517/ccdc.csd.cc26r3z2
_database_code_depnum_ccdc_archive 'CCDC 2048014'
loop_
_audit_author_name
_audit_author_address
'Jun Miao'
;Jilin University
China
;
_audit_update_record             
;
2020-12-10 deposited with the CCDC.	2022-02-17 downloaded from the CCDC.
;
_audit_creation_date             2020-12-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H21 B O2'
_chemical_formula_sum            'C20 H21 B O2'
_chemical_formula_weight         304.18
_chemical_absolute_configuration ?
_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'
B B 0.0013 0.0007 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.6429(5)
_cell_length_b                   11.1771(5)
_cell_length_c                   15.0198(7)
_cell_angle_alpha                90
_cell_angle_beta                 109.928(2)
_cell_angle_gamma                90
_cell_volume                     1679.72(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9982
_cell_measurement_temperature    100.01
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      2.91
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.985
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.991
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0340
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24962
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.050
_diffrn_reflns_theta_min         2.868
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.890
_reflns_Friedel_fraction_full    0.993
_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                5987
_reflns_number_total             6603
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.199
_refine_diff_density_min         -0.207
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details 
;
 Flack x determined using 2578 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.4(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         6603
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0383
_refine_ls_restrained_S_all      1.080
_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)+(0.0472P)²+0.4044P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.0990
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00K(H00K), C00P(H00P), C00Q(H00Q), C00R(H00R), C00T(H00T), C00U(H00U),
 C00V(H00V), C00Y(H00Y), C008(H008), C00E(H00E), C00F(H00F), C00H(H00H),
 C00N(H00N), C00O(H00O), C00S(H00S), C00X(H00X), C007(H007), C010(H010)
2.b Idealised Me refined as rotating group:
 C011(H01a,H01b,H01c), C012(H01d,H01e,H01f), C014(H01g,H01h,H01i), C015(H01j,
 H01k,H01l), C01A(H01v,H01w,H01x), C017(H01m,H01n,H01o), C018(H01p,H01q,H01r),
 C019(H01s,H01t,H01u)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.30232(18) 0.74771(16) 0.07841(14) 0.0236(4) Uani 1 1 d . . . . .
O002 O 0.52182(17) 0.69808(17) 0.11555(13) 0.0240(4) Uani 1 1 d . . . . .
C00G C 0.2494(3) 0.4692(2) 0.08452(18) 0.0192(5) Uani 1 1 d . . . . .
C00I C 0.5044(3) 0.8126(2) 0.06430(19) 0.0233(6) Uani 1 1 d . . . . .
C00J C 0.3676(2) 0.5306(2) 0.13903(17) 0.0184(5) Uani 1 1 d . . . . .
C00K C 0.5817(3) 0.5268(2) 0.27749(18) 0.0229(6) Uani 1 1 d . . . . .
H00K H 0.6053 0.6033 0.2605 0.027 Uiso 1 1 calc R . . . .
C00L C 0.3718(3) 0.8597(2) 0.07294(19) 0.0219(6) Uani 1 1 d . . . . .
C00M C 0.4289(3) 0.3561(2) 0.24698(18) 0.0212(5) Uani 1 1 d . . . . .
C00P C 0.1088(3) 0.2863(3) 0.0516(2) 0.0268(6) Uani 1 1 d . . . . .
H00P H 0.0919 0.2078 0.0690 0.032 Uiso 1 1 calc R . . . .
C00Q C 0.5192(3) 0.3004(3) 0.33033(19) 0.0270(6) Uani 1 1 d . . . . .
H00Q H 0.4991 0.2234 0.3486 0.032 Uiso 1 1 calc R . . . .
C00R C 0.0233(3) 0.3362(3) -0.0286(2) 0.0284(6) Uani 1 1 d . . . . .
H00R H -0.0520 0.2923 -0.0673 0.034 Uiso 1 1 calc R . . . .
C00T C 0.1551(3) 0.5182(2) 0.00002(18) 0.0219(5) Uani 1 1 d . . . . .
H00T H 0.1681 0.5971 -0.0187 0.026 Uiso 1 1 calc R . . . .
C00U C 0.6655(3) 0.4716(3) 0.35614(19) 0.0270(6) Uani 1 1 d . . . . .
H00U H 0.7462 0.5099 0.3930 0.032 Uiso 1 1 calc R . . . .
C00V C 0.6332(3) 0.3569(3) 0.3834(2) 0.0287(6) Uani 1 1 d . . . . .
H00V H 0.6915 0.3196 0.4390 0.034 Uiso 1 1 calc R . . . .
C00Y C 0.0468(3) 0.4542(3) -0.0543(2) 0.0252(6) Uani 1 1 d . . . . .
H00Y H -0.0137 0.4891 -0.1101 0.030 Uiso 1 1 calc R . . . .
C006 C 0.2241(3) 0.3499(2) 0.11049(19) 0.0216(5) Uani 1 1 d . . . . .
C008 C 0.3134(3) 0.2976(2) 0.19163(19) 0.0238(6) Uani 1 1 d . . . . .
H008 H 0.2949 0.2199 0.2096 0.029 Uiso 1 1 calc R . . . .
C009 C 0.4592(3) 0.4730(2) 0.21985(18) 0.0196(5) Uani 1 1 d . . . . .
C011 C 0.4934(3) 0.7805(3) -0.0364(2) 0.0317(7) Uani 1 1 d . . . . .
H01A H 0.5749 0.7390 -0.0357 0.048 Uiso 1 1 calc GR . . . .
H01B H 0.4822 0.8536 -0.0742 0.048 Uiso 1 1 calc GR . . . .
H01C H 0.4161 0.7281 -0.0642 0.048 Uiso 1 1 calc GR . . . .
C012 C 0.3900(3) 0.9275(3) 0.1640(2) 0.0330(7) Uani 1 1 d . . . . .
H01D H 0.3027 0.9396 0.1712 0.050 Uiso 1 1 calc GR . . . .
H01E H 0.4312 1.0053 0.1617 0.050 Uiso 1 1 calc GR . . . .
H01F H 0.4478 0.8814 0.2179 0.050 Uiso 1 1 calc GR . . . .
C014 C 0.6255(3) 0.8911(3) 0.1103(2) 0.0325(7) Uani 1 1 d . . . . .
H01G H 0.6420 0.8964 0.1785 0.049 Uiso 1 1 calc GR . . . .
H01H H 0.6088 0.9713 0.0824 0.049 Uiso 1 1 calc GR . . . .
H01I H 0.7037 0.8563 0.0997 0.049 Uiso 1 1 calc GR . . . .
C015 C 0.2862(3) 0.9313(3) -0.0119(2) 0.0289(6) Uani 1 1 d . . . . .
H01J H 0.2602 0.8804 -0.0685 0.043 Uiso 1 1 calc GR . . . .
H01K H 0.3372 1.0000 -0.0216 0.043 Uiso 1 1 calc GR . . . .
H01L H 0.2058 0.9596 -0.0005 0.043 Uiso 1 1 calc GR . . . .
B016 B 0.3977(3) 0.6605(3) 0.1112(2) 0.0204(6) Uani 1 1 d . . . . .
O003 O 0.9820(2) 0.57044(18) 0.72311(13) 0.0329(5) Uani 1 1 d . . . . .
O004 O 0.91573(19) 0.54043(18) 0.56409(13) 0.0281(4) Uani 1 1 d . . . . .
C00A C 0.8263(3) 0.3892(2) 0.65734(18) 0.0190(5) Uani 1 1 d . . . . .
C00B C 0.8930(3) 0.2837(2) 0.69882(18) 0.0191(5) Uani 1 1 d . . . . .
C00C C 0.6856(3) 0.3909(2) 0.61975(18) 0.0193(5) Uani 1 1 d . . . . .
C00D C 0.8179(3) 0.1777(2) 0.70035(18) 0.0207(5) Uani 1 1 d . . . . .
C00E C 0.4679(3) 0.2871(3) 0.57840(19) 0.0245(6) Uani 1 1 d . . . . .
H00E H 0.4179 0.2163 0.5767 0.029 Uiso 1 1 calc R . . . .
C00F C 0.6119(3) 0.4971(2) 0.58080(18) 0.0219(5) Uani 1 1 d . . . . .
H00F H 0.6589 0.5694 0.5807 0.026 Uiso 1 1 calc R . . . .
C00H C 1.0232(3) 0.0698(3) 0.7809(2) 0.0293(6) Uani 1 1 d . . . . .
H00H H 1.0679 -0.0015 0.8090 0.035 Uiso 1 1 calc R . . . .
C00N C 0.4762(3) 0.4966(2) 0.54405(19) 0.0235(6) Uani 1 1 d . . . . .
H00N H 0.4298 0.5686 0.5197 0.028 Uiso 1 1 calc R . . . .
C00O C 0.6788(3) 0.1803(2) 0.65992(18) 0.0214(5) Uani 1 1 d . . . . .
H00O H 0.6295 0.1094 0.6598 0.026 Uiso 1 1 calc R . . . .
C00S C 0.4028(3) 0.3900(3) 0.5415(2) 0.0266(6) Uani 1 1 d . . . . .
H00S H 0.3081 0.3904 0.5140 0.032 Uiso 1 1 calc R . . . .
C00W C 1.0294(3) 0.6748(2) 0.6847(2) 0.0275(6) Uani 1 1 d . . . . .
C00X C 1.0986(3) 0.1741(3) 0.7792(2) 0.0278(6) Uani 1 1 d . . . . .
H00X H 1.1934 0.1719 0.8058 0.033 Uiso 1 1 calc R . . . .
C00Z C 1.0219(3) 0.6306(2) 0.5852(2) 0.0244(6) Uani 1 1 d . . . . .
C01A C 1.1690(4) 0.7050(3) 0.7520(2) 0.0478(9) Uani 1 1 d . . . . .
H01V H 1.1649 0.7246 0.8145 0.072 Uiso 1 1 calc GR . . . .
H01W H 1.2040 0.7737 0.7273 0.072 Uiso 1 1 calc GR . . . .
H01X H 1.2280 0.6360 0.7574 0.072 Uiso 1 1 calc GR . . . .
C005 C 0.6106(3) 0.2837(2) 0.61983(18) 0.0202(5) Uani 1 1 d . . . . .
C007 C 0.8872(3) 0.0711(2) 0.74271(19) 0.0259(6) Uani 1 1 d . . . . .
H007 H 0.8380 0.0007 0.7442 0.031 Uiso 1 1 calc R . . . .
C010 C 1.0361(3) 0.2769(2) 0.73973(19) 0.0230(6) Uani 1 1 d . . . . .
H010 H 1.0881 0.3458 0.7392 0.028 Uiso 1 1 calc R . . . .
C017 C 1.1454(3) 0.5652(3) 0.5827(3) 0.0429(8) Uani 1 1 d . . . . .
H01M H 1.1700 0.5032 0.6318 0.064 Uiso 1 1 calc GR . . . .
H01N H 1.2194 0.6220 0.5942 0.064 Uiso 1 1 calc GR . . . .
H01O H 1.1268 0.5279 0.5204 0.064 Uiso 1 1 calc GR . . . .
C018 C 0.9815(3) 0.7251(3) 0.5081(2) 0.0387(8) Uani 1 1 d . . . . .
H01P H 0.9778 0.6892 0.4477 0.058 Uiso 1 1 calc GR . . . .
H01Q H 1.0473 0.7900 0.5243 0.058 Uiso 1 1 calc GR . . . .
H01R H 0.8934 0.7570 0.5024 0.058 Uiso 1 1 calc GR . . . .
C019 C 0.9324(4) 0.7749(3) 0.6818(3) 0.0454(9) Uani 1 1 d . . . . .
H01S H 0.8430 0.7529 0.6392 0.068 Uiso 1 1 calc GR . . . .
H01T H 0.9616 0.8482 0.6588 0.068 Uiso 1 1 calc GR . . . .
H01U H 0.9298 0.7885 0.7456 0.068 Uiso 1 1 calc GR . . . .
B013 B 0.9089(3) 0.5024(3) 0.6484(2) 0.0193(6) Uani 1 1 d . . . . .


_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 C00L 1.470(3) . ?
O001 B016 1.372(4) . ?
O002 C00I 1.472(3) . ?
O002 B016 1.366(3) . ?
C00G C00J 1.422(4) . ?
C00G C00T 1.432(4) . ?
C00G C006 1.440(4) . ?
C00I C00L 1.553(4) . ?
C00I C011 1.519(4) . ?
C00I C014 1.517(4) . ?
C00J C009 1.425(4) . ?
C00J B016 1.574(4) . ?
C00K H00K 0.9500 . ?
C00K C00U 1.362(4) . ?
C00K C009 1.429(4) . ?
C00L C012 1.517(4) . ?
C00L C015 1.518(4) . ?
C00M C00Q 1.434(4) . ?
C00M C008 1.391(4) . ?
C00M C009 1.437(4) . ?
C00P H00P 0.9500 . ?
C00P C00R 1.358(4) . ?
C00P C006 1.433(4) . ?
C00Q H00Q 0.9500 . ?
C00Q C00V 1.359(4) . ?
C00R H00R 0.9500 . ?
C00R C00Y 1.420(4) . ?
C00T H00T 0.9500 . ?
C00T C00Y 1.365(4) . ?
C00U H00U 0.9500 . ?
C00U C00V 1.424(4) . ?
C00V H00V 0.9500 . ?
C00Y H00Y 0.9500 . ?
C006 C008 1.393(4) . ?
C008 H008 0.9500 . ?
C011 H01A 0.9800 . ?
C011 H01B 0.9800 . ?
C011 H01C 0.9800 . ?
C012 H01D 0.9800 . ?
C012 H01E 0.9800 . ?
C012 H01F 0.9800 . ?
C014 H01G 0.9800 . ?
C014 H01H 0.9800 . ?
C014 H01I 0.9800 . ?
C015 H01J 0.9800 . ?
C015 H01K 0.9800 . ?
C015 H01L 0.9800 . ?
O003 C00W 1.464(3) . ?
O003 B013 1.359(3) . ?
O004 C00Z 1.466(3) . ?
O004 B013 1.361(4) . ?
C00A C00B 1.408(4) . ?
C00A C00C 1.409(4) . ?
C00A B013 1.572(4) . ?
C00B C00D 1.434(4) . ?
C00B C010 1.438(4) . ?
C00C C00F 1.434(4) . ?
C00C C005 1.440(4) . ?
C00D C00O 1.395(4) . ?
C00D C007 1.431(4) . ?
C00E H00E 0.9500 . ?
C00E C00S 1.359(4) . ?
C00E C005 1.432(4) . ?
C00F H00F 0.9500 . ?
C00F C00N 1.359(4) . ?
C00H H00H 0.9500 . ?
C00H C00X 1.421(4) . ?
C00H C007 1.363(4) . ?
C00N H00N 0.9500 . ?
C00N C00S 1.418(4) . ?
C00O H00O 0.9500 . ?
C00O C005 1.388(4) . ?
C00S H00S 0.9500 . ?
C00W C00Z 1.551(4) . ?
C00W C01A 1.523(4) . ?
C00W C019 1.513(4) . ?
C00X H00X 0.9500 . ?
C00X C010 1.359(4) . ?
C00Z C017 1.516(4) . ?
C00Z C018 1.517(4) . ?
C01A H01V 0.9800 . ?
C01A H01W 0.9800 . ?
C01A H01X 0.9800 . ?
C007 H007 0.9500 . ?
C010 H010 0.9500 . ?
C017 H01M 0.9800 . ?
C017 H01N 0.9800 . ?
C017 H01O 0.9800 . ?
C018 H01P 0.9800 . ?
C018 H01Q 0.9800 . ?
C018 H01R 0.9800 . ?
C019 H01S 0.9800 . ?
C019 H01T 0.9800 . ?
C019 H01U 0.9800 . ?

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
B016 O001 C00L 107.48(19) . . ?
B016 O002 C00I 107.2(2) . . ?
C00J C00G C00T 122.8(2) . . ?
C00J C00G C006 120.1(2) . . ?
C00T C00G C006 117.0(2) . . ?
O002 C00I C00L 101.97(19) . . ?
O002 C00I C011 105.6(2) . . ?
O002 C00I C014 109.2(2) . . ?
C011 C00I C00L 113.6(2) . . ?
C014 C00I C00L 114.9(2) . . ?
C014 C00I C011 110.8(2) . . ?
C00G C00J C009 119.1(2) . . ?
C00G C00J B016 120.8(2) . . ?
C009 C00J B016 120.0(2) . . ?
C00U C00K H00K 119.1 . . ?
C00U C00K C009 121.9(3) . . ?
C009 C00K H00K 119.1 . . ?
O001 C00L C00I 101.79(19) . . ?
O001 C00L C012 106.7(2) . . ?
O001 C00L C015 109.0(2) . . ?
C012 C00L C00I 113.9(2) . . ?
C012 C00L C015 110.5(2) . . ?
C015 C00L C00I 114.3(2) . . ?
C00Q C00M C009 119.6(2) . . ?
C008 C00M C00Q 120.7(2) . . ?
C008 C00M C009 119.7(2) . . ?
C00R C00P H00P 119.4 . . ?
C00R C00P C006 121.2(3) . . ?
C006 C00P H00P 119.4 . . ?
C00M C00Q H00Q 119.7 . . ?
C00V C00Q C00M 120.6(3) . . ?
C00V C00Q H00Q 119.7 . . ?
C00P C00R H00R 120.1 . . ?
C00P C00R C00Y 119.7(3) . . ?
C00Y C00R H00R 120.1 . . ?
C00G C00T H00T 119.2 . . ?
C00Y C00T C00G 121.5(3) . . ?
C00Y C00T H00T 119.2 . . ?
C00K C00U H00U 119.8 . . ?
C00K C00U C00V 120.4(3) . . ?
C00V C00U H00U 119.8 . . ?
C00Q C00V C00U 120.3(3) . . ?
C00Q C00V H00V 119.8 . . ?
C00U C00V H00V 119.8 . . ?
C00R C00Y H00Y 119.5 . . ?
C00T C00Y C00R 121.0(3) . . ?
C00T C00Y H00Y 119.5 . . ?
C00P C006 C00G 119.5(2) . . ?
C008 C006 C00G 119.4(2) . . ?
C008 C006 C00P 121.1(2) . . ?
C00M C008 C006 121.7(2) . . ?
C00M C008 H008 119.1 . . ?
C006 C008 H008 119.1 . . ?
C00J C009 C00K 122.9(2) . . ?
C00J C009 C00M 119.8(2) . . ?
C00K C009 C00M 117.2(2) . . ?
C00I C011 H01A 109.5 . . ?
C00I C011 H01B 109.5 . . ?
C00I C011 H01C 109.5 . . ?
H01A C011 H01B 109.5 . . ?
H01A C011 H01C 109.5 . . ?
H01B C011 H01C 109.5 . . ?
C00L C012 H01D 109.5 . . ?
C00L C012 H01E 109.5 . . ?
C00L C012 H01F 109.5 . . ?
H01D C012 H01E 109.5 . . ?
H01D C012 H01F 109.5 . . ?
H01E C012 H01F 109.5 . . ?
C00I C014 H01G 109.5 . . ?
C00I C014 H01H 109.5 . . ?
C00I C014 H01I 109.5 . . ?
H01G C014 H01H 109.5 . . ?
H01G C014 H01I 109.5 . . ?
H01H C014 H01I 109.5 . . ?
C00L C015 H01J 109.5 . . ?
C00L C015 H01K 109.5 . . ?
C00L C015 H01L 109.5 . . ?
H01J C015 H01K 109.5 . . ?
H01J C015 H01L 109.5 . . ?
H01K C015 H01L 109.5 . . ?
O001 B016 C00J 123.9(2) . . ?
O002 B016 O001 112.5(2) . . ?
O002 B016 C00J 123.5(2) . . ?
B013 O003 C00W 107.3(2) . . ?
B013 O004 C00Z 107.2(2) . . ?
C00B C00A C00C 119.7(2) . . ?
C00B C00A B013 120.0(2) . . ?
C00C C00A B013 120.3(2) . . ?
C00A C00B C00D 120.0(2) . . ?
C00A C00B C010 122.3(2) . . ?
C00D C00B C010 117.7(2) . . ?
C00A C00C C00F 122.2(2) . . ?
C00A C00C C005 120.2(2) . . ?
C00F C00C C005 117.6(2) . . ?
C00O C00D C00B 119.3(2) . . ?
C00O C00D C007 121.4(2) . . ?
C007 C00D C00B 119.3(2) . . ?
C00S C00E H00E 119.4 . . ?
C00S C00E C005 121.2(3) . . ?
C005 C00E H00E 119.4 . . ?
C00C C00F H00F 119.3 . . ?
C00N C00F C00C 121.3(2) . . ?
C00N C00F H00F 119.3 . . ?
C00X C00H H00H 119.7 . . ?
C007 C00H H00H 119.7 . . ?
C007 C00H C00X 120.6(3) . . ?
C00F C00N H00N 119.5 . . ?
C00F C00N C00S 120.9(3) . . ?
C00S C00N H00N 119.5 . . ?
C00D C00O H00O 119.1 . . ?
C005 C00O C00D 121.8(2) . . ?
C005 C00O H00O 119.1 . . ?
C00E C00S C00N 120.0(2) . . ?
C00E C00S H00S 120.0 . . ?
C00N C00S H00S 120.0 . . ?
O003 C00W C00Z 102.4(2) . . ?
O003 C00W C01A 107.7(2) . . ?
O003 C00W C019 106.1(2) . . ?
C01A C00W C00Z 115.3(3) . . ?
C019 C00W C00Z 113.4(3) . . ?
C019 C00W C01A 110.9(3) . . ?
C00H C00X H00X 119.8 . . ?
C010 C00X C00H 120.4(3) . . ?
C010 C00X H00X 119.8 . . ?
O004 C00Z C00W 102.1(2) . . ?
O004 C00Z C017 105.9(2) . . ?
O004 C00Z C018 108.5(2) . . ?
C017 C00Z C00W 114.7(3) . . ?
C017 C00Z C018 109.8(3) . . ?
C018 C00Z C00W 115.0(2) . . ?
C00W C01A H01V 109.5 . . ?
C00W C01A H01W 109.5 . . ?
C00W C01A H01X 109.5 . . ?
H01V C01A H01W 109.5 . . ?
H01V C01A H01X 109.5 . . ?
H01W C01A H01X 109.5 . . ?
C00E C005 C00C 118.9(2) . . ?
C00O C005 C00C 119.0(2) . . ?
C00O C005 C00E 122.1(2) . . ?
C00D C007 H007 119.7 . . ?
C00H C007 C00D 120.6(3) . . ?
C00H C007 H007 119.7 . . ?
C00B C010 H010 119.3 . . ?
C00X C010 C00B 121.4(3) . . ?
C00X C010 H010 119.3 . . ?
C00Z C017 H01M 109.5 . . ?
C00Z C017 H01N 109.5 . . ?
C00Z C017 H01O 109.5 . . ?
H01M C017 H01N 109.5 . . ?
H01M C017 H01O 109.5 . . ?
H01N C017 H01O 109.5 . . ?
C00Z C018 H01P 109.5 . . ?
C00Z C018 H01Q 109.5 . . ?
C00Z C018 H01R 109.5 . . ?
H01P C018 H01Q 109.5 . . ?
H01P C018 H01R 109.5 . . ?
H01Q C018 H01R 109.5 . . ?
C00W C019 H01S 109.5 . . ?
C00W C019 H01T 109.5 . . ?
C00W C019 H01U 109.5 . . ?
H01S C019 H01T 109.5 . . ?
H01S C019 H01U 109.5 . . ?
H01T C019 H01U 109.5 . . ?
O003 B013 O004 113.4(2) . . ?
O003 B013 C00A 124.0(2) . . ?
O004 B013 C00A 122.6(2) . . ?


_olex2_submission_special_instructions 'No special instructions were received'
