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

data_12_0m
_database_code_depnum_ccdc_archive 'CCDC 2226280'
loop_
_audit_author_name
_audit_author_address
'Hui Wang'
;soochow university
China
;
_audit_update_record             
;
2022-12-13 deposited with the CCDC.	2023-05-16 downloaded from the CCDC.
;
_audit_creation_date             2021-12-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H23 N5'
_chemical_formula_sum            'C40 H23 N5'
_chemical_formula_weight         573.63
_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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.8738(5)
_cell_length_b                   14.2252(9)
_cell_length_c                   16.4821(11)
_cell_angle_alpha                65.736(2)
_cell_angle_beta                 85.602(3)
_cell_angle_gamma                81.263(2)
_cell_volume                     1452.04(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7019
_cell_measurement_temperature    150
_cell_measurement_theta_max      26.363
_cell_measurement_theta_min      2.898
_shelx_estimated_absorpt_T_max   0.996
_shelx_estimated_absorpt_T_min   0.988
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.7012
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0649 before and 0.0473 after correction. The Ratio of minimum to maximum transmission is 0.9407. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             596
_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  0.0319
_diffrn_reflns_av_unetI/netI     0.0365
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16681
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.388
_diffrn_reflns_theta_min         2.526
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.986
_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_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4721
_reflns_number_total             5869
_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 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.186
_refine_diff_density_min         -0.164
_refine_diff_density_rms         0.036
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         5869
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0423
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0520P)²+0.4400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1180
_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:
 C22(H22), C3(H3), C24(H24), C25(H25), C19(H19), C27(H27), C28(H28), C20(H20),
 C30(H30), C12(H12), C15(H15), C5(H5), C34(H34), C33(H33), C40(H40), C13(H13),
 C31(H31), C14(H14), C36(H36), C32(H32), C39(H39), C38(H38), C37(H37)
;
_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
N3 N 0.74111(16) 0.66559(8) 0.46126(7) 0.0245(3) Uani 1 1 d . . . . .
N4 N 0.81489(16) 0.54248(8) 0.64429(7) 0.0237(2) Uani 1 1 d . . . . .
N5 N 0.44735(18) 0.23495(9) 0.09597(8) 0.0295(3) Uani 1 1 d . . . . .
N1 N 0.7440(2) 1.06518(10) 0.48570(9) 0.0433(4) Uani 1 1 d . . . . .
N2 N 0.8793(2) 0.89660(10) 0.73303(9) 0.0418(3) Uani 1 1 d . . . . .
C11 C 0.79197(19) 0.38747(10) 0.62291(9) 0.0228(3) Uani 1 1 d . . . . .
C10 C 0.78657(18) 0.50018(10) 0.58857(9) 0.0215(3) Uani 1 1 d . . . . .
C4 C 0.80622(19) 0.64750(10) 0.60941(9) 0.0226(3) Uani 1 1 d . . . . .
C9 C 0.75128(18) 0.56266(10) 0.49544(9) 0.0216(3) Uani 1 1 d . . . . .
C16 C 0.76290(19) 0.33965(10) 0.56557(9) 0.0229(3) Uani 1 1 d . . . . .
C22 C 0.69670(19) 0.35973(10) 0.41071(9) 0.0234(3) Uani 1 1 d . . . . .
H22 H 0.698745 0.286502 0.432790 0.028 Uiso 1 1 calc R . . . .
C3 C 0.8374(2) 0.69642(10) 0.66598(9) 0.0259(3) Uani 1 1 d . . . . .
H3 H 0.867247 0.655520 0.726841 0.031 Uiso 1 1 calc R . . . .
C24 C 0.6608(2) 0.26560(11) 0.28224(9) 0.0265(3) Uani 1 1 d . . . . .
H24 H 0.727925 0.222551 0.335922 0.032 Uiso 1 1 calc R . . . .
C18 C 0.72412(18) 0.51288(10) 0.43630(9) 0.0219(3) Uani 1 1 d . . . . .
C17 C 0.72856(18) 0.40375(10) 0.47008(9) 0.0217(3) Uani 1 1 d . . . . .
C21 C 0.66223(19) 0.41975(10) 0.32060(9) 0.0235(3) Uani 1 1 d . . . . .
C29 C 0.2811(2) 0.28064(10) 0.04027(9) 0.0261(3) Uani 1 1 d . . . . .
C23 C 0.61950(19) 0.37265(10) 0.25964(9) 0.0237(3) Uani 1 1 d . . . . .
C25 C 0.6066(2) 0.22047(11) 0.22863(9) 0.0275(3) Uani 1 1 d . . . . .
H25 H 0.636888 0.147455 0.246154 0.033 Uiso 1 1 calc R . . . .
C19 C 0.6928(2) 0.57297(10) 0.34558(9) 0.0263(3) Uani 1 1 d . . . . .
H19 H 0.692572 0.646138 0.322677 0.032 Uiso 1 1 calc R . . . .
C2 C 0.8244(2) 0.80272(10) 0.63300(9) 0.0254(3) Uani 1 1 d . . . . .
C6 C 0.76652(19) 0.70921(10) 0.51827(9) 0.0237(3) Uani 1 1 d . . . . .
C26 C 0.5077(2) 0.28122(10) 0.14900(9) 0.0254(3) Uani 1 1 d . . . . .
C27 C 0.4735(2) 0.38893(10) 0.12382(9) 0.0275(3) Uani 1 1 d . . . . .
H27 H 0.412169 0.432369 0.068714 0.033 Uiso 1 1 calc R . . . .
C28 C 0.5276(2) 0.43298(10) 0.17797(9) 0.0263(3) Uani 1 1 d . . . . .
H28 H 0.501660 0.506304 0.159299 0.032 Uiso 1 1 calc R . . . .
C20 C 0.6625(2) 0.52778(11) 0.28916(9) 0.0271(3) Uani 1 1 d . . . . .
H20 H 0.641361 0.570228 0.227797 0.033 Uiso 1 1 calc R . . . .
C30 C 0.1161(2) 0.33303(10) 0.06530(9) 0.0295(3) Uani 1 1 d . . . . .
H30 H 0.111960 0.337094 0.121532 0.035 Uiso 1 1 calc R . . . .
C35 C 0.5526(2) 0.13898(10) 0.09869(9) 0.0281(3) Uani 1 1 d . . . . .
C7 C 0.7794(2) 0.86485(10) 0.54128(10) 0.0271(3) Uani 1 1 d . . . . .
C12 C 0.8248(2) 0.32644(11) 0.71390(9) 0.0307(3) Uani 1 1 d . . . . .
H12 H 0.843442 0.359024 0.752276 0.037 Uiso 1 1 calc R . . . .
C15 C 0.7691(2) 0.23092(11) 0.60260(10) 0.0307(3) Uani 1 1 d . . . . .
H15 H 0.749343 0.197079 0.565358 0.037 Uiso 1 1 calc R . . . .
C5 C 0.7528(2) 0.81881(10) 0.48522(10) 0.0282(3) Uani 1 1 d . . . . .
H5 H 0.725174 0.860402 0.424250 0.034 Uiso 1 1 calc R . . . .
C1 C 0.8546(2) 0.85407(11) 0.68962(10) 0.0305(3) Uani 1 1 d . . . . .
C34 C 0.2807(2) 0.27186(11) -0.04104(9) 0.0318(3) Uani 1 1 d . . . . .
H34 H 0.391320 0.235561 -0.058887 0.038 Uiso 1 1 calc R . . . .
C8 C 0.7600(2) 0.97666(11) 0.50923(10) 0.0322(3) Uani 1 1 d . . . . .
C33 C 0.1189(2) 0.31613(12) -0.09568(10) 0.0372(4) Uani 1 1 d . . . . .
H33 H 0.118210 0.308288 -0.150176 0.045 Uiso 1 1 calc R . . . .
C40 C 0.4525(2) 0.05528(11) 0.11588(10) 0.0348(3) Uani 1 1 d . . . . .
H40 H 0.314784 0.060736 0.127717 0.042 Uiso 1 1 calc R . . . .
C13 C 0.8304(2) 0.22038(11) 0.74796(10) 0.0369(4) Uani 1 1 d . . . . .
H13 H 0.852661 0.179865 0.809555 0.044 Uiso 1 1 calc R . . . .
C31 C -0.0422(2) 0.37931(11) 0.00875(11) 0.0360(4) Uani 1 1 d . . . . .
H31 H -0.152255 0.416771 0.025738 0.043 Uiso 1 1 calc R . . . .
C14 C 0.8033(2) 0.17233(11) 0.69193(10) 0.0366(4) Uani 1 1 d . . . . .
H14 H 0.808359 0.098836 0.715338 0.044 Uiso 1 1 calc R . . . .
C36 C 0.7538(2) 0.12952(12) 0.08379(12) 0.0398(4) Uani 1 1 d . . . . .
H36 H 0.823528 0.186418 0.072898 0.048 Uiso 1 1 calc R . . . .
C32 C -0.0415(2) 0.37151(12) -0.07211(11) 0.0396(4) Uani 1 1 d . . . . .
H32 H -0.149748 0.403769 -0.110963 0.048 Uiso 1 1 calc R . . . .
C39 C 0.5543(3) -0.03678(12) 0.11576(12) 0.0460(4) Uani 1 1 d . . . . .
H39 H 0.485338 -0.093947 0.126624 0.055 Uiso 1 1 calc R . . . .
C38 C 0.7536(3) -0.04579(13) 0.10008(14) 0.0526(5) Uani 1 1 d . . . . .
H38 H 0.822385 -0.108840 0.099789 0.063 Uiso 1 1 calc R . . . .
C37 C 0.8533(3) 0.03681(15) 0.08478(15) 0.0541(5) Uani 1 1 d . . . . .
H37 H 0.991752 0.030249 0.074804 0.065 Uiso 1 1 calc R . . . .


_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
N3 C9 1.3279(16) . ?
N3 C6 1.3550(16) . ?
N4 C10 1.3269(16) . ?
N4 C4 1.3559(16) . ?
N5 C29 1.4197(17) . ?
N5 C26 1.4073(16) . ?
N5 C35 1.4295(17) . ?
N1 C8 1.1451(18) . ?
N2 C1 1.1455(18) . ?
C11 C10 1.4600(18) . ?
C11 C16 1.4123(17) . ?
C11 C12 1.4058(19) . ?
C10 C9 1.4405(18) . ?
C4 C3 1.4173(17) . ?
C4 C6 1.4169(19) . ?
C9 C18 1.4567(17) . ?
C16 C17 1.4752(18) . ?
C16 C15 1.4053(18) . ?
C22 H22 0.9500 . ?
C22 C17 1.4057(17) . ?
C22 C21 1.3932(19) . ?
C3 H3 0.9500 . ?
C3 C2 1.3714(18) . ?
C24 H24 0.9500 . ?
C24 C23 1.3989(18) . ?
C24 C25 1.3860(18) . ?
C18 C17 1.4137(18) . ?
C18 C19 1.3984(19) . ?
C21 C23 1.4842(17) . ?
C21 C20 1.4058(19) . ?
C29 C30 1.392(2) . ?
C29 C34 1.3964(19) . ?
C23 C28 1.4016(19) . ?
C25 H25 0.9500 . ?
C25 C26 1.3991(19) . ?
C19 H19 0.9500 . ?
C19 C20 1.3723(18) . ?
C2 C7 1.433(2) . ?
C2 C1 1.4433(18) . ?
C6 C5 1.4148(18) . ?
C26 C27 1.3993(18) . ?
C27 H27 0.9500 . ?
C27 C28 1.3817(18) . ?
C28 H28 0.9500 . ?
C20 H20 0.9500 . ?
C30 H30 0.9500 . ?
C30 C31 1.385(2) . ?
C35 C40 1.383(2) . ?
C35 C36 1.382(2) . ?
C7 C5 1.3696(18) . ?
C7 C8 1.4430(19) . ?
C12 H12 0.9500 . ?
C12 C13 1.372(2) . ?
C15 H15 0.9500 . ?
C15 C14 1.379(2) . ?
C5 H5 0.9500 . ?
C34 H34 0.9500 . ?
C34 C33 1.385(2) . ?
C33 H33 0.9500 . ?
C33 C32 1.381(2) . ?
C40 H40 0.9500 . ?
C40 C39 1.389(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.392(2) . ?
C31 H31 0.9500 . ?
C31 C32 1.382(2) . ?
C14 H14 0.9500 . ?
C36 H36 0.9500 . ?
C36 C37 1.385(2) . ?
C32 H32 0.9500 . ?
C39 H39 0.9500 . ?
C39 C38 1.371(3) . ?
C38 H38 0.9500 . ?
C38 C37 1.375(2) . ?
C37 H37 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
C9 N3 C6 116.70(11) . . ?
C10 N4 C4 116.65(11) . . ?
C29 N5 C35 118.70(11) . . ?
C26 N5 C29 121.45(11) . . ?
C26 N5 C35 119.85(11) . . ?
C16 C11 C10 120.49(12) . . ?
C12 C11 C10 119.59(11) . . ?
C12 C11 C16 119.92(12) . . ?
N4 C10 C11 118.88(12) . . ?
N4 C10 C9 121.62(12) . . ?
C9 C10 C11 119.50(11) . . ?
N4 C4 C3 118.85(12) . . ?
N4 C4 C6 121.74(11) . . ?
C6 C4 C3 119.40(12) . . ?
N3 C9 C10 121.84(11) . . ?
N3 C9 C18 118.33(12) . . ?
C10 C9 C18 119.83(11) . . ?
C11 C16 C17 119.88(11) . . ?
C15 C16 C11 117.84(12) . . ?
C15 C16 C17 122.27(11) . . ?
C17 C22 H22 118.9 . . ?
C21 C22 H22 118.9 . . ?
C21 C22 C17 122.29(12) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 C4 120.10(12) . . ?
C2 C3 H3 120.0 . . ?
C23 C24 H24 119.0 . . ?
C25 C24 H24 119.0 . . ?
C25 C24 C23 121.96(12) . . ?
C17 C18 C9 120.37(12) . . ?
C19 C18 C9 120.10(12) . . ?
C19 C18 C17 119.54(11) . . ?
C22 C17 C16 121.89(12) . . ?
C22 C17 C18 118.19(12) . . ?
C18 C17 C16 119.92(11) . . ?
C22 C21 C23 121.61(12) . . ?
C22 C21 C20 117.87(12) . . ?
C20 C21 C23 120.49(12) . . ?
C30 C29 N5 121.53(12) . . ?
C30 C29 C34 118.82(13) . . ?
C34 C29 N5 119.65(13) . . ?
C24 C23 C21 121.93(12) . . ?
C24 C23 C28 116.60(12) . . ?
C28 C23 C21 121.42(12) . . ?
C24 C25 H25 119.6 . . ?
C24 C25 C26 120.75(12) . . ?
C26 C25 H25 119.6 . . ?
C18 C19 H19 119.5 . . ?
C20 C19 C18 120.97(12) . . ?
C20 C19 H19 119.5 . . ?
C3 C2 C7 120.23(12) . . ?
C3 C2 C1 120.96(13) . . ?
C7 C2 C1 118.82(12) . . ?
N3 C6 C4 121.42(12) . . ?
N3 C6 C5 118.70(12) . . ?
C5 C6 C4 119.88(12) . . ?
C25 C26 N5 120.71(12) . . ?
C25 C26 C27 117.74(12) . . ?
C27 C26 N5 121.55(12) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 C26 120.92(12) . . ?
C28 C27 H27 119.5 . . ?
C23 C28 H28 119.0 . . ?
C27 C28 C23 121.92(12) . . ?
C27 C28 H28 119.0 . . ?
C21 C20 H20 119.4 . . ?
C19 C20 C21 121.13(13) . . ?
C19 C20 H20 119.4 . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.43(13) . . ?
C31 C30 H30 119.8 . . ?
C40 C35 N5 119.89(13) . . ?
C36 C35 N5 120.34(13) . . ?
C36 C35 C40 119.77(13) . . ?
C2 C7 C8 118.96(12) . . ?
C5 C7 C2 120.47(12) . . ?
C5 C7 C8 120.57(13) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.79(13) . . ?
C13 C12 H12 119.6 . . ?
C16 C15 H15 119.3 . . ?
C14 C15 C16 121.34(13) . . ?
C14 C15 H15 119.3 . . ?
C6 C5 H5 120.1 . . ?
C7 C5 C6 119.89(13) . . ?
C7 C5 H5 120.1 . . ?
N2 C1 C2 178.59(16) . . ?
C29 C34 H34 120.0 . . ?
C33 C34 C29 119.96(14) . . ?
C33 C34 H34 120.0 . . ?
N1 C8 C7 178.48(16) . . ?
C34 C33 H33 119.5 . . ?
C32 C33 C34 121.00(14) . . ?
C32 C33 H33 119.5 . . ?
C35 C40 H40 120.1 . . ?
C35 C40 C39 119.71(15) . . ?
C39 C40 H40 120.1 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.78(13) . . ?
C14 C13 H13 120.1 . . ?
C30 C31 H31 119.7 . . ?
C32 C31 C30 120.64(15) . . ?
C32 C31 H31 119.7 . . ?
C15 C14 C13 120.32(13) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C35 C36 H36 120.1 . . ?
C35 C36 C37 119.77(15) . . ?
C37 C36 H36 120.1 . . ?
C33 C32 C31 119.08(14) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C40 C39 H39 119.8 . . ?
C38 C39 C40 120.49(15) . . ?
C38 C39 H39 119.8 . . ?
C39 C38 H38 120.1 . . ?
C39 C38 C37 119.70(15) . . ?
C37 C38 H38 120.1 . . ?
C36 C37 H37 119.7 . . ?
C38 C37 C36 120.54(17) . . ?
C38 C37 H37 119.7 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
