# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_mo_191011c_0m
_database_code_depnum_ccdc_archive 'CCDC 2006202'
loop_
_audit_author_name
_audit_author_address
'zhongan li'
;Huazhong University of Science and Technology
China
;
_audit_update_record             
;
2020-05-27 deposited with the CCDC.	2020-07-06 downloaded from the CCDC.
;
_audit_creation_date             2019-10-15
_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         'C68 H48 N2 O2'
_chemical_formula_sum            'C68 H48 N2 O2'
_chemical_formula_weight         925.08
_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      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                   9.2148(13)
_cell_length_b                   9.4425(13)
_cell_length_c                   14.798(2)
_cell_angle_alpha                78.093(2)
_cell_angle_beta                 87.741(2)
_cell_angle_gamma                86.000(2)
_cell_volume                     1256.4(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4778
_cell_measurement_temperature    220(1)
_cell_measurement_theta_max      31.37
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.991
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6383
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2008/1 (Bruker,2008)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.223
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             486
_exptl_crystal_size_max          0.12
_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  0.0225
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9170
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.494
_diffrn_reflns_theta_min         1.407
_diffrn_ambient_temperature      220(1)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_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                3711
_reflns_number_total             4628
_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 v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.811
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4628
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0571
_refine_ls_restrained_S_all      1.053
_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)+(0.1308P)²+0.4359P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1804
_refine_ls_wR_factor_ref         0.2027
_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: 
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C13(H13), 
 C14(H14), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C24(H24), C25(H25), 
  C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34) 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
C1 C 0.0673(2) 0.4238(2) 0.04509(14) 0.0353(5) Uani 1 1 d . . . . .
C2 C 0.0114(2) 0.5745(2) 0.03998(14) 0.0331(4) Uani 1 1 d . . . . .
C3 C -0.0648(2) 0.7968(2) 0.09156(14) 0.0363(5) Uani 1 1 d . . . . .
C4 C -0.2102(2) 0.7951(3) 0.07027(16) 0.0473(6) Uani 1 1 d . . . . .
H4 H -0.2469 0.7102 0.0590 0.057 Uiso 1 1 calc R . . . .
C5 C -0.3003(3) 0.9197(3) 0.0659(2) 0.0653(8) Uani 1 1 d . . . . .
H5 H -0.3974 0.9203 0.0484 0.078 Uiso 1 1 calc R . . . .
C6 C -0.2496(4) 1.0437(3) 0.0868(2) 0.0734(9) Uani 1 1 d . . . . .
H6 H -0.3127 1.1265 0.0862 0.088 Uiso 1 1 calc R . . . .
C7 C -0.1062(4) 1.0441(3) 0.10844(18) 0.0655(8) Uani 1 1 d . . . . .
H7 H -0.0711 1.1283 0.1220 0.079 Uiso 1 1 calc R . . . .
C8 C -0.0123(3) 0.9220(2) 0.11064(15) 0.0462(5) Uani 1 1 d . . . . .
H8 H 0.0860 0.9238 0.1249 0.055 Uiso 1 1 calc R . . . .
C9 C 0.1569(2) 0.6472(2) 0.15029(14) 0.0327(4) Uani 1 1 d . . . . .
C10 C 0.2910(2) 0.6142(2) 0.11185(15) 0.0398(5) Uani 1 1 d . . . . .
H10 H 0.2986 0.6029 0.0502 0.048 Uiso 1 1 calc R . . . .
C11 C 0.4139(2) 0.5981(3) 0.16460(15) 0.0412(5) Uani 1 1 d . . . . .
H11 H 0.5044 0.5718 0.1392 0.049 Uiso 1 1 calc R . . . .
C12 C 0.4053(2) 0.6203(2) 0.25528(14) 0.0327(4) Uani 1 1 d . . . . .
C13 C 0.2690(2) 0.6483(2) 0.29355(14) 0.0334(4) Uani 1 1 d . . . . .
H13 H 0.2609 0.6586 0.3554 0.040 Uiso 1 1 calc R . . . .
C14 C 0.1448(2) 0.6614(2) 0.24194(14) 0.0332(4) Uani 1 1 d . . . . .
H14 H 0.0530 0.6798 0.2687 0.040 Uiso 1 1 calc R . . . .
C15 C 0.54268(19) 0.6194(2) 0.30555(13) 0.0314(4) Uani 1 1 d . . . . .
C16 C 0.6448(2) 0.4894(2) 0.30570(14) 0.0324(4) Uani 1 1 d . . . . .
C17 C 0.5941(2) 0.3512(2) 0.33150(19) 0.0478(6) Uani 1 1 d . . . . .
H17 H 0.4962 0.3410 0.3506 0.057 Uiso 1 1 calc R . . . .
C18 C 0.6844(3) 0.2286(2) 0.3297(2) 0.0554(7) Uani 1 1 d . . . . .
H18 H 0.6486 0.1360 0.3486 0.066 Uiso 1 1 calc R . . . .
C19 C 0.8291(3) 0.2433(2) 0.29954(17) 0.0474(6) Uani 1 1 d . . . . .
H19 H 0.8915 0.1606 0.2982 0.057 Uiso 1 1 calc R . . . .
C20 C 0.8800(2) 0.3799(2) 0.27179(15) 0.0394(5) Uani 1 1 d . . . . .
H20 H 0.9767 0.3903 0.2501 0.047 Uiso 1 1 calc R . . . .
C21 C 0.7892(2) 0.5015(2) 0.27576(15) 0.0359(5) Uani 1 1 d . . . . .
H21 H 0.8258 0.5940 0.2579 0.043 Uiso 1 1 calc R . . . .
C22 C 0.5724(2) 0.7328(2) 0.34264(13) 0.0309(4) Uani 1 1 d . . . . .
C23 C 0.4724(2) 0.8674(2) 0.33364(14) 0.0330(5) Uani 1 1 d . . . . .
C24 C 0.4276(2) 0.9455(2) 0.24829(16) 0.0437(5) Uani 1 1 d . . . . .
H24 H 0.4620 0.9151 0.1943 0.052 Uiso 1 1 calc R . . . .
C25 C 0.3326(3) 1.0679(3) 0.2414(2) 0.0555(7) Uani 1 1 d . . . . .
H25 H 0.3037 1.1201 0.1831 0.067 Uiso 1 1 calc R . . . .
C26 C 0.2809(3) 1.1126(3) 0.3204(2) 0.0592(7) Uani 1 1 d . . . . .
H26 H 0.2153 1.1945 0.3160 0.071 Uiso 1 1 calc R . . . .
C27 C 0.3253(3) 1.0373(3) 0.4052(2) 0.0562(7) Uani 1 1 d . . . . .
H27 H 0.2908 1.0681 0.4591 0.067 Uiso 1 1 calc R . . . .
C28 C 0.4216(2) 0.9153(2) 0.41184(16) 0.0431(5) Uani 1 1 d . . . . .
H28 H 0.4524 0.8650 0.4702 0.052 Uiso 1 1 calc R . . . .
C29 C 0.7094(2) 0.7356(2) 0.39327(13) 0.0314(4) Uani 1 1 d . . . . .
C30 C 0.7419(2) 0.6341(2) 0.47392(15) 0.0405(5) Uani 1 1 d . . . . .
H30 H 0.6771 0.5622 0.4977 0.049 Uiso 1 1 calc R . . . .
C31 C 0.8706(3) 0.6395(3) 0.51903(16) 0.0477(6) Uani 1 1 d . . . . .
H31 H 0.8917 0.5722 0.5739 0.057 Uiso 1 1 calc R . . . .
C32 C 0.9678(2) 0.7439(3) 0.48332(17) 0.0472(6) Uani 1 1 d . . . . .
H32 H 1.0557 0.7459 0.5130 0.057 Uiso 1 1 calc R . . . .
C33 C 0.9351(2) 0.8441(2) 0.40454(17) 0.0453(6) Uani 1 1 d . . . . .
H33 H 1.0001 0.9159 0.3806 0.054 Uiso 1 1 calc R . . . .
C34 C 0.8051(2) 0.8397(2) 0.35967(14) 0.0348(5) Uani 1 1 d . . . . .
H34 H 0.7832 0.9091 0.3058 0.042 Uiso 1 1 calc R . . . .
N1 N 0.03054(17) 0.66956(18) 0.09368(11) 0.0331(4) Uani 1 1 d . . . . .
O1 O 0.14294(17) 0.33542(17) 0.09818(11) 0.0466(4) 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
C1 C2 1.467(3) . ?
C1 C2 1.474(3) 2_565 ?
C1 O1 1.221(2) . ?
C2 C1 1.474(3) 2_565 ?
C2 N1 1.340(3) . ?
C3 C4 1.390(3) . ?
C3 C8 1.393(3) . ?
C3 N1 1.434(2) . ?
C4 H4 0.9400 . ?
C4 C5 1.383(3) . ?
C5 H5 0.9400 . ?
C5 C6 1.387(5) . ?
C6 H6 0.9400 . ?
C6 C7 1.372(5) . ?
C7 H7 0.9400 . ?
C7 C8 1.389(4) . ?
C8 H8 0.9400 . ?
C9 C10 1.383(3) . ?
C9 C14 1.390(3) . ?
C9 N1 1.440(2) . ?
C10 H10 0.9400 . ?
C10 C11 1.382(3) . ?
C11 H11 0.9400 . ?
C11 C12 1.399(3) . ?
C12 C13 1.388(3) . ?
C12 C15 1.492(2) . ?
C13 H13 0.9400 . ?
C13 C14 1.385(3) . ?
C14 H14 0.9400 . ?
C15 C16 1.494(3) . ?
C15 C22 1.348(3) . ?
C16 C17 1.390(3) . ?
C16 C21 1.391(3) . ?
C17 H17 0.9400 . ?
C17 C18 1.382(3) . ?
C18 H18 0.9400 . ?
C18 C19 1.397(4) . ?
C19 H19 0.9400 . ?
C19 C20 1.380(3) . ?
C20 H20 0.9400 . ?
C20 C21 1.383(3) . ?
C21 H21 0.9400 . ?
C22 C23 1.502(3) . ?
C22 C29 1.498(2) . ?
C23 C24 1.387(3) . ?
C23 C28 1.381(3) . ?
C24 H24 0.9400 . ?
C24 C25 1.389(3) . ?
C25 H25 0.9400 . ?
C25 C26 1.379(4) . ?
C26 H26 0.9400 . ?
C26 C27 1.372(4) . ?
C27 H27 0.9400 . ?
C27 C28 1.394(3) . ?
C28 H28 0.9400 . ?
C29 C30 1.396(3) . ?
C29 C34 1.370(3) . ?
C30 H30 0.9400 . ?
C30 C31 1.393(3) . ?
C31 H31 0.9400 . ?
C31 C32 1.387(4) . ?
C32 H32 0.9400 . ?
C32 C33 1.370(3) . ?
C33 H33 0.9400 . ?
C33 C34 1.399(3) . ?
C34 H34 0.9400 . ?

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
C2 C1 C2 87.93(15) . 2_565 ?
O1 C1 C2 136.38(19) . 2_565 ?
O1 C1 C2 135.67(19) . . ?
C1 C2 C1 92.07(15) . 2_565 ?
N1 C2 C1 135.98(18) . 2_565 ?
N1 C2 C1 131.94(17) . . ?
C4 C3 C8 119.9(2) . . ?
C4 C3 N1 119.84(19) . . ?
C8 C3 N1 120.23(19) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.4(2) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.5 . . ?
C4 C5 C6 121.0(3) . . ?
C6 C5 H5 119.5 . . ?
C5 C6 H6 120.4 . . ?
C7 C6 C5 119.2(2) . . ?
C7 C6 H6 120.4 . . ?
C6 C7 H7 119.5 . . ?
C6 C7 C8 121.0(3) . . ?
C8 C7 H7 119.5 . . ?
C3 C8 H8 120.3 . . ?
C7 C8 C3 119.4(2) . . ?
C7 C8 H8 120.3 . . ?
C10 C9 C14 120.38(17) . . ?
C10 C9 N1 119.18(17) . . ?
C14 C9 N1 120.43(17) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 C9 119.63(19) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.89(18) . . ?
C12 C11 H11 119.6 . . ?
C11 C12 C15 118.93(17) . . ?
C13 C12 C11 118.43(17) . . ?
C13 C12 C15 122.59(17) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.00(18) . . ?
C14 C13 H13 119.5 . . ?
C9 C14 H14 120.3 . . ?
C13 C14 C9 119.49(18) . . ?
C13 C14 H14 120.3 . . ?
C12 C15 C16 114.74(15) . . ?
C22 C15 C12 121.13(17) . . ?
C22 C15 C16 124.03(16) . . ?
C17 C16 C15 119.85(18) . . ?
C17 C16 C21 118.09(19) . . ?
C21 C16 C15 121.96(18) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 C16 121.4(2) . . ?
C18 C17 H17 119.3 . . ?
C17 C18 H18 120.2 . . ?
C17 C18 C19 119.5(2) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 120.2 . . ?
C20 C19 C18 119.6(2) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.27(19) . . ?
C21 C20 H20 119.9 . . ?
C16 C21 H21 119.5 . . ?
C20 C21 C16 121.06(19) . . ?
C20 C21 H21 119.5 . . ?
C15 C22 C23 122.33(16) . . ?
C15 C22 C29 122.47(17) . . ?
C29 C22 C23 115.18(15) . . ?
C24 C23 C22 121.81(18) . . ?
C28 C23 C22 119.86(18) . . ?
C28 C23 C24 118.32(19) . . ?
C23 C24 H24 119.5 . . ?
C23 C24 C25 121.0(2) . . ?
C25 C24 H24 119.5 . . ?
C24 C25 H25 120.1 . . ?
C26 C25 C24 119.9(2) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 120.1 . . ?
C27 C26 C25 119.8(2) . . ?
C27 C26 H26 120.1 . . ?
C26 C27 H27 119.9 . . ?
C26 C27 C28 120.2(2) . . ?
C28 C27 H27 119.9 . . ?
C23 C28 C27 120.8(2) . . ?
C23 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C30 C29 C22 121.42(18) . . ?
C34 C29 C22 119.35(17) . . ?
C34 C29 C30 119.23(17) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 C29 119.9(2) . . ?
C31 C30 H30 120.1 . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.3(2) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 120.1 . . ?
C33 C32 C31 119.71(19) . . ?
C33 C32 H32 120.1 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.1(2) . . ?
C34 C33 H33 120.0 . . ?
C29 C34 C33 120.81(19) . . ?
C29 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C2 N1 C3 122.12(16) . . ?
C2 N1 C9 118.31(15) . . ?
C3 N1 C9 119.43(15) . . ?

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
C1 C2 N1 C3 -162.3(2) . . . . ?
C1 C2 N1 C3 19.1(4) 2_565 . . . ?
C1 C2 N1 C9 -156.6(2) 2_565 . . . ?
C1 C2 N1 C9 22.1(3) . . . . ?
C2 C1 C2 C1 -0.001(1) 2_565 . . 2_565 ?
C2 C1 C2 N1 -179.1(3) 2_565 . . . ?
C3 C4 C5 C6 -3.2(4) . . . . ?
C4 C3 C8 C7 0.2(3) . . . . ?
C4 C3 N1 C2 30.2(3) . . . . ?
C4 C3 N1 C9 -154.2(2) . . . . ?
C4 C5 C6 C7 2.7(4) . . . . ?
C5 C6 C7 C8 -0.8(4) . . . . ?
C6 C7 C8 C3 -0.7(4) . . . . ?
C8 C3 C4 C5 1.7(3) . . . . ?
C8 C3 N1 C2 -149.7(2) . . . . ?
C8 C3 N1 C9 25.9(3) . . . . ?
C9 C10 C11 C12 -2.6(3) . . . . ?
C10 C9 C14 C13 2.7(3) . . . . ?
C10 C9 N1 C2 46.0(3) . . . . ?
C10 C9 N1 C3 -129.8(2) . . . . ?
C10 C11 C12 C13 4.7(3) . . . . ?
C10 C11 C12 C15 -172.6(2) . . . . ?
C11 C12 C13 C14 -3.2(3) . . . . ?
C11 C12 C15 C16 -52.0(2) . . . . ?
C11 C12 C15 C22 124.4(2) . . . . ?
C12 C13 C14 C9 -0.4(3) . . . . ?
C12 C15 C16 C17 -50.4(3) . . . . ?
C12 C15 C16 C21 126.0(2) . . . . ?
C12 C15 C22 C23 -1.7(3) . . . . ?
C12 C15 C22 C29 -179.84(17) . . . . ?
C13 C12 C15 C16 130.8(2) . . . . ?
C13 C12 C15 C22 -52.8(3) . . . . ?
C14 C9 C10 C11 -1.2(3) . . . . ?
C14 C9 N1 C2 -135.3(2) . . . . ?
C14 C9 N1 C3 48.9(3) . . . . ?
C15 C12 C13 C14 173.99(18) . . . . ?
C15 C16 C17 C18 178.0(2) . . . . ?
C15 C16 C21 C20 -176.52(18) . . . . ?
C15 C22 C23 C24 -54.6(3) . . . . ?
C15 C22 C23 C28 124.8(2) . . . . ?
C15 C22 C29 C30 -61.9(3) . . . . ?
C15 C22 C29 C34 117.9(2) . . . . ?
C16 C15 C22 C23 174.42(18) . . . . ?
C16 C15 C22 C29 -3.7(3) . . . . ?
C16 C17 C18 C19 -1.3(4) . . . . ?
C17 C16 C21 C20 -0.1(3) . . . . ?
C17 C18 C19 C20 -0.1(4) . . . . ?
C18 C19 C20 C21 1.5(3) . . . . ?
C19 C20 C21 C16 -1.4(3) . . . . ?
C21 C16 C17 C18 1.4(4) . . . . ?
C22 C15 C16 C17 133.2(2) . . . . ?
C22 C15 C16 C21 -50.4(3) . . . . ?
C22 C23 C24 C25 178.6(2) . . . . ?
C22 C23 C28 C27 -178.1(2) . . . . ?
C22 C29 C30 C31 179.74(19) . . . . ?
C22 C29 C34 C33 -179.06(18) . . . . ?
C23 C22 C29 C30 119.8(2) . . . . ?
C23 C22 C29 C34 -60.4(2) . . . . ?
C23 C24 C25 C26 -0.4(4) . . . . ?
C24 C23 C28 C27 1.3(3) . . . . ?
C24 C25 C26 C27 1.1(4) . . . . ?
C25 C26 C27 C28 -0.5(4) . . . . ?
C26 C27 C28 C23 -0.7(4) . . . . ?
C28 C23 C24 C25 -0.8(3) . . . . ?
C29 C22 C23 C24 123.7(2) . . . . ?
C29 C22 C23 C28 -56.9(2) . . . . ?
C29 C30 C31 C32 -1.1(3) . . . . ?
C30 C29 C34 C33 0.8(3) . . . . ?
C30 C31 C32 C33 1.6(3) . . . . ?
C31 C32 C33 C34 -0.9(3) . . . . ?
C32 C33 C34 C29 -0.3(3) . . . . ?
C34 C29 C30 C31 -0.1(3) . . . . ?
N1 C3 C4 C5 -178.2(2) . . . . ?
N1 C3 C8 C7 -179.89(19) . . . . ?
N1 C9 C10 C11 177.52(19) . . . . ?
N1 C9 C14 C13 -176.02(18) . . . . ?
O1 C1 C2 C1 -178.4(3) . . . 2_565 ?
O1 C1 C2 N1 2.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
