# Supplementary Information (SI) for Materials Horizons.
# 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. 
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#######################################################################

data_616dme_0m
_database_code_depnum_ccdc_archive 'CCDC 2364352'
loop_
_audit_author_name
_audit_author_address
'Hao Wu' 'Soochow University'
_audit_update_record             
;
2024-06-21 deposited with the CCDC.	2025-05-20 downloaded from the CCDC.
;
_audit_creation_date             2024-06-17
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H25 B N2'
_chemical_formula_sum            'C33 H25 B N2'
_chemical_formula_weight         460.36
_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'
N N 0.0061 0.0033 '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           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   7.4246(4)
_cell_length_b                   11.3666(6)
_cell_length_c                   28.6369(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2416.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3895
_cell_measurement_temperature    170
_cell_measurement_theta_max      26.191
_cell_measurement_theta_min      2.834
_shelx_estimated_absorpt_T_max   0.996
_shelx_estimated_absorpt_T_min   0.989
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5745
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1408 before and 0.0632 after correction.
The Ratio of minimum to maximum transmission is 0.7707.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0903
_diffrn_reflns_av_unetI/netI     0.0782
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            20467
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.374
_diffrn_reflns_theta_min         1.928
_diffrn_ambient_temperature      170
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.740
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                3389
_reflns_number_total             4936
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.167
_refine_diff_density_min         -0.189
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details 
;
 Flack x determined using 1043 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -4.7(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4936
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0972
_refine_ls_R_factor_gt           0.0557
_refine_ls_restrained_S_all      1.034
_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)+(0.0556P)²+0.2461P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1353
_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:
 C12(H12), C18(H18), C25(H25), C16(H16), C23(H23), C17(H17), C31(H31),
 C10(H10), C2(H2), C11(H11), C29(H29), C30(H30), C3(H3), C6(H6), C33(H33),
 C24(H24), C32(H32), C4(H4), C5(H5)
2.b Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C26(H26A,H26B,H26C)
;
_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
N2 N 0.3196(4) 0.4329(2) 0.44326(10) 0.0318(7) Uani 1 1 d . . . . .
N1 N 0.8377(4) 0.6166(2) 0.37060(10) 0.0319(7) Uani 1 1 d . . . . .
C14 C 0.6836(5) 0.4623(3) 0.32665(12) 0.0301(8) Uani 1 1 d . . . . .
C8 C 0.5803(5) 0.5254(3) 0.40850(12) 0.0293(8) Uani 1 1 d . . . . .
C21 C 0.3970(5) 0.3705(3) 0.36415(12) 0.0302(9) Uani 1 1 d . . . . .
C12 C 0.7438(5) 0.6797(3) 0.44891(12) 0.0328(9) Uani 1 1 d . . . . .
H12 H 0.835656 0.737784 0.450007 0.039 Uiso 1 1 calc R U . . .
C7 C 0.7221(5) 0.6089(3) 0.40948(12) 0.0306(8) Uani 1 1 d . . . . .
C9 C 0.4631(5) 0.5131(3) 0.44702(13) 0.0319(9) Uani 1 1 d . . . . .
C28 C 0.2124(5) 0.4128(3) 0.48480(12) 0.0324(8) Uani 1 1 d . . . . .
C15 C 0.6635(5) 0.3900(3) 0.28739(13) 0.0332(9) Uani 1 1 d . . . . .
C13 C 0.8257(5) 0.5445(3) 0.33036(12) 0.0305(8) Uani 1 1 d . . . . .
C22 C 0.2772(5) 0.3687(3) 0.40240(13) 0.0312(8) Uani 1 1 d . . . . .
C20 C 0.3642(6) 0.3048(3) 0.32331(13) 0.0331(9) Uani 1 1 d . . . . .
C18 C 0.9493(5) 0.5539(3) 0.29385(13) 0.0365(9) Uani 1 1 d . . . . .
H18 H 1.044229 0.609826 0.295100 0.044 Uiso 1 1 calc R U . . .
C25 C 0.2052(6) 0.2402(3) 0.32092(14) 0.0385(10) Uani 1 1 d . . . . .
H25 H 0.179327 0.194596 0.293930 0.046 Uiso 1 1 calc R U . . .
C16 C 0.7905(6) 0.3986(3) 0.25187(13) 0.0388(10) Uani 1 1 d . . . . .
H16 H 0.781959 0.349475 0.225133 0.047 Uiso 1 1 calc R U . . .
C23 C 0.1174(5) 0.3035(3) 0.39888(13) 0.0371(9) Uani 1 1 d . . . . .
H23 H 0.033813 0.301366 0.423973 0.045 Uiso 1 1 calc R U . . .
C17 C 0.9306(6) 0.4798(3) 0.25572(13) 0.0395(10) Uani 1 1 d . . . . .
H17 H 1.016559 0.484479 0.231222 0.047 Uiso 1 1 calc R U . . .
C31 C 0.0156(5) 0.3786(3) 0.56533(14) 0.0396(10) Uani 1 1 d . . . . .
H31 H -0.050904 0.367610 0.593331 0.048 Uiso 1 1 calc R U . . .
C10 C 0.4891(5) 0.5816(3) 0.48678(13) 0.0350(9) Uani 1 1 d . . . . .
H10 H 0.413598 0.572627 0.513327 0.042 Uiso 1 1 calc R U . . .
C19 C 0.5030(6) 0.3026(3) 0.28319(13) 0.0359(9) Uani 1 1 d . . . . .
C1 C 0.9707(5) 0.7087(3) 0.37153(12) 0.0324(9) Uani 1 1 d . . . . .
C2 C 1.1502(5) 0.6823(3) 0.37975(13) 0.0380(9) Uani 1 1 d . . . . .
H2 H 1.186402 0.602984 0.384265 0.046 Uiso 1 1 calc R U . . .
C11 C 0.6278(6) 0.6633(3) 0.48667(13) 0.0367(9) Uani 1 1 d . . . . .
H11 H 0.644767 0.710460 0.513700 0.044 Uiso 1 1 calc R U . . .
C29 C 0.2622(5) 0.3265(3) 0.51570(13) 0.0374(9) Uani 1 1 d . . . . .
H29 H 0.364020 0.278504 0.509325 0.045 Uiso 1 1 calc R U . . .
C30 C 0.1633(6) 0.3094(3) 0.55637(13) 0.0418(10) Uani 1 1 d . . . . .
H30 H 0.197839 0.250016 0.577916 0.050 Uiso 1 1 calc R U . . .
C3 C 1.2767(6) 0.7717(4) 0.38137(14) 0.0488(11) Uani 1 1 d . . . . .
H3 H 1.399898 0.753558 0.386746 0.059 Uiso 1 1 calc R U . . .
C6 C 0.9166(6) 0.8247(3) 0.36525(13) 0.0429(10) Uani 1 1 d . . . . .
H6 H 0.793772 0.843149 0.359481 0.051 Uiso 1 1 calc R U . . .
C33 C 0.0629(6) 0.4813(3) 0.49337(14) 0.0421(10) Uani 1 1 d . . . . .
H33 H 0.028166 0.540304 0.471659 0.051 Uiso 1 1 calc R U . . .
C24 C 0.0844(6) 0.2422(3) 0.35794(14) 0.0417(10) Uani 1 1 d . . . . .
H24 H -0.025322 0.199804 0.355077 0.050 Uiso 1 1 calc R U . . .
C32 C -0.0367(6) 0.4641(3) 0.53375(14) 0.0474(11) Uani 1 1 d . . . . .
H32 H -0.140326 0.510716 0.539702 0.057 Uiso 1 1 calc R U . . .
C4 C 1.2245(7) 0.8862(4) 0.37522(14) 0.0570(13) Uani 1 1 d . . . . .
H4 H 1.311726 0.947327 0.376227 0.068 Uiso 1 1 calc R U . . .
C5 C 1.0453(8) 0.9132(3) 0.36755(14) 0.0555(13) Uani 1 1 d . . . . .
H5 H 1.009869 0.992919 0.363828 0.067 Uiso 1 1 calc R U . . .
B1 B 0.5550(6) 0.4520(3) 0.36650(14) 0.0291(9) Uani 1 1 d . . . . .
C27 C 0.5814(6) 0.1759(3) 0.28163(17) 0.0544(13) Uani 1 1 d . . . . .
H27A H 0.665179 0.169082 0.255331 0.082 Uiso 1 1 calc R U . . .
H27B H 0.483044 0.119246 0.277731 0.082 Uiso 1 1 calc R U . . .
H27C H 0.645352 0.159513 0.310847 0.082 Uiso 1 1 calc R U . . .
C26 C 0.4052(6) 0.3275(4) 0.23667(14) 0.0540(12) Uani 1 1 d . . . . .
H26A H 0.351618 0.406270 0.237688 0.081 Uiso 1 1 calc R U . . .
H26B H 0.310295 0.268857 0.231911 0.081 Uiso 1 1 calc R U . . .
H26C H 0.491760 0.323314 0.210880 0.081 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
N2 C9 1.406(4) . ?
N2 C28 1.449(4) . ?
N2 C22 1.414(4) . ?
N1 C7 1.409(4) . ?
N1 C13 1.417(4) . ?
N1 C1 1.440(5) . ?
C14 C15 1.401(5) . ?
C14 C13 1.412(5) . ?
C14 B1 1.493(5) . ?
C8 C7 1.418(5) . ?
C8 C9 1.412(5) . ?
C8 B1 1.476(5) . ?
C21 C22 1.411(5) . ?
C21 C20 1.408(5) . ?
C21 B1 1.496(5) . ?
C12 H12 0.9500 . ?
C12 C7 1.396(5) . ?
C12 C11 1.395(5) . ?
C9 C10 1.393(5) . ?
C28 C29 1.372(5) . ?
C28 C33 1.378(5) . ?
C15 C16 1.390(5) . ?
C15 C19 1.556(5) . ?
C13 C18 1.395(5) . ?
C22 C23 1.403(5) . ?
C20 C25 1.392(5) . ?
C20 C19 1.544(5) . ?
C18 H18 0.9500 . ?
C18 C17 1.386(5) . ?
C25 H25 0.9500 . ?
C25 C24 1.389(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.394(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.386(5) . ?
C17 H17 0.9500 . ?
C31 H31 0.9500 . ?
C31 C30 1.373(6) . ?
C31 C32 1.383(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(5) . ?
C19 C27 1.554(5) . ?
C19 C26 1.543(5) . ?
C1 C2 1.386(5) . ?
C1 C6 1.390(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.384(5) . ?
C11 H11 0.9500 . ?
C29 H29 0.9500 . ?
C29 C30 1.390(5) . ?
C30 H30 0.9500 . ?
C3 H3 0.9500 . ?
C3 C4 1.369(6) . ?
C6 H6 0.9500 . ?
C6 C5 1.388(6) . ?
C33 H33 0.9500 . ?
C33 C32 1.387(6) . ?
C24 H24 0.9500 . ?
C32 H32 0.9500 . ?
C4 H4 0.9500 . ?
C4 C5 1.383(7) . ?
C5 H5 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 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
C9 N2 C28 117.1(3) . . ?
C9 N2 C22 124.5(3) . . ?
C22 N2 C28 118.4(3) . . ?
C7 N1 C13 124.7(3) . . ?
C7 N1 C1 116.6(3) . . ?
C13 N1 C1 118.6(3) . . ?
C15 C14 C13 121.9(3) . . ?
C15 C14 B1 119.9(3) . . ?
C13 C14 B1 118.2(3) . . ?
C7 C8 B1 119.3(3) . . ?
C9 C8 C7 120.6(3) . . ?
C9 C8 B1 120.1(3) . . ?
C22 C21 B1 117.9(3) . . ?
C20 C21 C22 121.9(3) . . ?
C20 C21 B1 120.1(3) . . ?
C7 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
C11 C12 C7 118.6(3) . . ?
N1 C7 C8 118.6(3) . . ?
C12 C7 N1 122.2(3) . . ?
C12 C7 C8 119.2(3) . . ?
N2 C9 C8 118.1(3) . . ?
C10 C9 N2 122.0(3) . . ?
C10 C9 C8 119.8(3) . . ?
C29 C28 N2 119.6(3) . . ?
C29 C28 C33 120.4(3) . . ?
C33 C28 N2 120.0(3) . . ?
C14 C15 C19 121.2(3) . . ?
C16 C15 C14 118.3(3) . . ?
C16 C15 C19 120.5(3) . . ?
C14 C13 N1 119.4(3) . . ?
C18 C13 N1 121.6(3) . . ?
C18 C13 C14 119.0(3) . . ?
C21 C22 N2 119.7(3) . . ?
C23 C22 N2 121.4(3) . . ?
C23 C22 C21 119.0(3) . . ?
C21 C20 C19 120.8(3) . . ?
C25 C20 C21 117.8(3) . . ?
C25 C20 C19 121.4(3) . . ?
C13 C18 H18 120.7 . . ?
C17 C18 C13 118.5(4) . . ?
C17 C18 H18 120.7 . . ?
C20 C25 H25 120.0 . . ?
C24 C25 C20 120.1(3) . . ?
C24 C25 H25 120.0 . . ?
C15 C16 H16 120.2 . . ?
C15 C16 C17 119.6(3) . . ?
C17 C16 H16 120.2 . . ?
C22 C23 H23 120.8 . . ?
C24 C23 C22 118.5(4) . . ?
C24 C23 H23 120.8 . . ?
C18 C17 C16 122.6(4) . . ?
C18 C17 H17 118.7 . . ?
C16 C17 H17 118.7 . . ?
C30 C31 H31 119.9 . . ?
C30 C31 C32 120.3(4) . . ?
C32 C31 H31 119.9 . . ?
C9 C10 H10 120.8 . . ?
C11 C10 C9 118.4(3) . . ?
C11 C10 H10 120.8 . . ?
C20 C19 C15 116.3(3) . . ?
C20 C19 C27 106.7(3) . . ?
C27 C19 C15 107.9(3) . . ?
C26 C19 C15 108.0(3) . . ?
C26 C19 C20 109.0(3) . . ?
C26 C19 C27 108.8(3) . . ?
C2 C1 N1 120.4(3) . . ?
C2 C1 C6 120.3(4) . . ?
C6 C1 N1 119.3(4) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0(4) . . ?
C3 C2 H2 120.0 . . ?
C12 C11 H11 118.3 . . ?
C10 C11 C12 123.3(3) . . ?
C10 C11 H11 118.3 . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.9(3) . . ?
C30 C29 H29 120.1 . . ?
C31 C30 C29 119.9(4) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.1(4) . . ?
C4 C3 H3 120.0 . . ?
C1 C6 H6 120.6 . . ?
C5 C6 C1 118.8(4) . . ?
C5 C6 H6 120.6 . . ?
C28 C33 H33 120.1 . . ?
C28 C33 C32 119.9(4) . . ?
C32 C33 H33 120.1 . . ?
C25 C24 H24 118.7 . . ?
C23 C24 C25 122.7(4) . . ?
C23 C24 H24 118.7 . . ?
C31 C32 C33 119.7(4) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 H32 120.2 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.2(4) . . ?
C5 C4 H4 119.9 . . ?
C6 C5 H5 119.7 . . ?
C4 C5 C6 120.6(4) . . ?
C4 C5 H5 119.7 . . ?
C14 B1 C21 121.1(3) . . ?
C8 B1 C14 119.8(3) . . ?
C8 B1 C21 119.1(3) . . ?
C19 C27 H27A 109.5 . . ?
C19 C27 H27B 109.5 . . ?
C19 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C19 C26 H26A 109.5 . . ?
C19 C26 H26B 109.5 . . ?
C19 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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
N2 C9 C10 C11 -176.4(3) . . . . ?
N2 C28 C29 C30 177.9(3) . . . . ?
N2 C28 C33 C32 -178.3(4) . . . . ?
N2 C22 C23 C24 -179.7(3) . . . . ?
N1 C13 C18 C17 179.4(3) . . . . ?
N1 C1 C2 C3 -178.9(3) . . . . ?
N1 C1 C6 C5 178.2(3) . . . . ?
C14 C15 C16 C17 -1.4(5) . . . . ?
C14 C15 C19 C20 2.9(5) . . . . ?
C14 C15 C19 C27 -116.9(4) . . . . ?
C14 C15 C19 C26 125.7(4) . . . . ?
C14 C13 C18 C17 -1.6(5) . . . . ?
C8 C9 C10 C11 1.9(5) . . . . ?
C21 C22 C23 C24 0.6(5) . . . . ?
C21 C20 C25 C24 0.3(5) . . . . ?
C21 C20 C19 C15 -8.7(5) . . . . ?
C21 C20 C19 C27 111.6(4) . . . . ?
C21 C20 C19 C26 -131.1(3) . . . . ?
C7 N1 C13 C14 3.5(5) . . . . ?
C7 N1 C13 C18 -177.5(3) . . . . ?
C7 N1 C1 C2 105.9(4) . . . . ?
C7 N1 C1 C6 -72.5(4) . . . . ?
C7 C8 C9 N2 177.0(3) . . . . ?
C7 C8 C9 C10 -1.4(5) . . . . ?
C7 C8 B1 C14 2.9(5) . . . . ?
C7 C8 B1 C21 -175.4(3) . . . . ?
C7 C12 C11 C10 -1.3(6) . . . . ?
C9 N2 C28 C29 -88.9(4) . . . . ?
C9 N2 C28 C33 90.2(4) . . . . ?
C9 N2 C22 C21 9.1(5) . . . . ?
C9 N2 C22 C23 -170.6(3) . . . . ?
C9 C8 C7 N1 178.8(3) . . . . ?
C9 C8 C7 C12 -0.5(5) . . . . ?
C9 C8 B1 C14 -177.7(3) . . . . ?
C9 C8 B1 C21 4.0(5) . . . . ?
C9 C10 C11 C12 -0.6(6) . . . . ?
C28 N2 C9 C8 173.8(3) . . . . ?
C28 N2 C9 C10 -7.8(5) . . . . ?
C28 N2 C22 C21 -168.9(3) . . . . ?
C28 N2 C22 C23 11.4(5) . . . . ?
C28 C29 C30 C31 0.4(6) . . . . ?
C28 C33 C32 C31 0.4(6) . . . . ?
C15 C14 C13 N1 179.0(3) . . . . ?
C15 C14 C13 C18 0.0(5) . . . . ?
C15 C14 B1 C8 177.9(3) . . . . ?
C15 C14 B1 C21 -3.8(5) . . . . ?
C15 C16 C17 C18 -0.2(6) . . . . ?
C13 N1 C7 C8 -1.5(5) . . . . ?
C13 N1 C7 C12 177.8(3) . . . . ?
C13 N1 C1 C2 -77.1(4) . . . . ?
C13 N1 C1 C6 104.4(4) . . . . ?
C13 C14 C15 C16 1.5(5) . . . . ?
C13 C14 C15 C19 -178.1(3) . . . . ?
C13 C14 B1 C8 -0.9(5) . . . . ?
C13 C14 B1 C21 177.4(3) . . . . ?
C13 C18 C17 C16 1.8(6) . . . . ?
C22 N2 C9 C8 -4.2(5) . . . . ?
C22 N2 C9 C10 174.2(3) . . . . ?
C22 N2 C28 C29 89.2(4) . . . . ?
C22 N2 C28 C33 -91.6(4) . . . . ?
C22 C21 C20 C25 2.1(5) . . . . ?
C22 C21 C20 C19 -176.4(3) . . . . ?
C22 C21 B1 C14 -177.6(3) . . . . ?
C22 C21 B1 C8 0.7(5) . . . . ?
C22 C23 C24 C25 1.9(6) . . . . ?
C20 C21 C22 N2 177.7(3) . . . . ?
C20 C21 C22 C23 -2.6(5) . . . . ?
C20 C21 B1 C14 -2.1(5) . . . . ?
C20 C21 B1 C8 176.2(3) . . . . ?
C20 C25 C24 C23 -2.4(6) . . . . ?
C25 C20 C19 C15 172.8(3) . . . . ?
C25 C20 C19 C27 -66.8(4) . . . . ?
C25 C20 C19 C26 50.5(4) . . . . ?
C16 C15 C19 C20 -176.8(3) . . . . ?
C16 C15 C19 C27 63.5(4) . . . . ?
C16 C15 C19 C26 -53.9(5) . . . . ?
C19 C15 C16 C17 178.2(3) . . . . ?
C19 C20 C25 C24 178.8(3) . . . . ?
C1 N1 C7 C8 175.2(3) . . . . ?
C1 N1 C7 C12 -5.5(5) . . . . ?
C1 N1 C13 C14 -173.1(3) . . . . ?
C1 N1 C13 C18 5.9(5) . . . . ?
C1 C2 C3 C4 0.5(6) . . . . ?
C1 C6 C5 C4 1.0(6) . . . . ?
C2 C1 C6 C5 -0.3(6) . . . . ?
C2 C3 C4 C5 0.2(7) . . . . ?
C11 C12 C7 N1 -177.5(3) . . . . ?
C11 C12 C7 C8 1.8(5) . . . . ?
C29 C28 C33 C32 0.8(6) . . . . ?
C30 C31 C32 C33 -1.3(6) . . . . ?
C3 C4 C5 C6 -1.0(7) . . . . ?
C6 C1 C2 C3 -0.5(6) . . . . ?
C33 C28 C29 C30 -1.2(5) . . . . ?
C32 C31 C30 C29 0.9(6) . . . . ?
B1 C14 C15 C16 -177.2(3) . . . . ?
B1 C14 C15 C19 3.1(5) . . . . ?
B1 C14 C13 N1 -2.2(5) . . . . ?
B1 C14 C13 C18 178.8(3) . . . . ?
B1 C8 C7 N1 -1.8(5) . . . . ?
B1 C8 C7 C12 178.9(3) . . . . ?
B1 C8 C9 N2 -2.4(5) . . . . ?
B1 C8 C9 C10 179.2(3) . . . . ?
B1 C21 C22 N2 -6.9(5) . . . . ?
B1 C21 C22 C23 172.8(3) . . . . ?
B1 C21 C20 C25 -173.2(3) . . . . ?
B1 C21 C20 C19 8.4(5) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
