# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_20211206-mdl-wyz-1
_database_code_depnum_ccdc_archive 'CCDC 2372212'
loop_
_audit_author_name
_audit_author_address
'Dong-Liang Mo'
;Guangxi Normal University
China
;
_audit_update_record             
;
2024-07-20 deposited with the CCDC.	2024-10-14 downloaded from the CCDC.
;
_audit_creation_date             2024-07-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H28 N2 O'
_chemical_formula_sum            'C36 H28 N2 O'
_chemical_formula_weight         504.60
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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                   10.2072(6)
_cell_length_b                   10.9695(5)
_cell_length_c                   13.5745(6)
_cell_angle_alpha                69.772(4)
_cell_angle_beta                 69.194(5)
_cell_angle_gamma                76.134(4)
_cell_volume                     1321.28(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11114
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      76.7850
_cell_measurement_theta_min      3.6150
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.591
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             532
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.948
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17613
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.379
_diffrn_reflns_theta_min         3.636
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4723
_reflns_number_total             5321
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.231
_refine_diff_density_min         -0.138
_refine_diff_density_rms         0.028
_refine_ls_extinction_coef       0.0027(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         5321
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0384
_refine_ls_restrained_S_all      1.055
_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)+(0.0464P)²+0.2175P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1016
_refine_ls_wR_factor_ref         0.1046
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Ternary CH refined with riding coordinates:
 C2(H2)
1.b Aromatic/amide H refined with riding coordinates:
 N6(H6), C27(H27), C32(H32), C31(H31), C33(H33), C15(H15), C18(H18), C11(H11),
 C16(H16), C19(H19), C25(H25), C14(H14), C24(H24), C17(H17), C30(H30), C13(H13),
  C39(H39), C29(H29), C21(H21), C23(H23), C28(H28), C12(H12), C22(H22),
 C35(H35), C37(H37), C38(H38), C36(H36)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
O9 O 0.40413(8) 0.44361(8) 0.71445(6) 0.0437(2) Uani 1 1 d . . . . .
N1 N 0.33008(10) 0.33056(9) 0.76566(8) 0.0421(2) Uani 1 1 d . . . . .
N6 N 0.63519(11) 0.31699(10) 0.89288(9) 0.0471(2) Uani 1 1 d . . . . .
H6 H 0.655331 0.376124 0.911402 0.057 Uiso 1 1 calc R U . . .
C5 C 0.69109(12) 0.18627(11) 0.91665(10) 0.0441(3) Uani 1 1 d . . . . .
C4 C 0.62835(12) 0.12299(11) 0.87366(10) 0.0436(3) Uani 1 1 d . . . . .
C7 C 0.54144(12) 0.33720(11) 0.83437(9) 0.0418(2) Uani 1 1 d . . . . .
C8 C 0.45265(12) 0.46409(11) 0.79538(9) 0.0410(2) Uani 1 1 d . . . . .
C20 C 0.54305(12) 0.57520(11) 0.72948(10) 0.0426(3) Uani 1 1 d . . . . .
C26 C 0.32603(12) 0.49891(11) 0.88745(10) 0.0439(3) Uani 1 1 d . . . . .
C3 C 0.53321(12) 0.22171(11) 0.82242(10) 0.0427(3) Uani 1 1 d . . . . .
C10 C 0.21715(12) 0.34874(12) 0.72277(9) 0.0427(3) Uani 1 1 d . . . . .
C2 C 0.43568(12) 0.21099(11) 0.76622(10) 0.0432(3) Uani 1 1 d . . . . .
H2 H 0.385275 0.135716 0.813395 0.052 Uiso 1 1 calc R U . . .
C27 C 0.30671(14) 0.43095(13) 0.99719(11) 0.0523(3) Uani 1 1 d . . . . .
H27 H 0.372418 0.359973 1.017530 0.063 Uiso 1 1 calc R U . . .
C32 C 0.50783(13) 0.18872(13) 0.65440(11) 0.0500(3) Uani 1 1 d . . . . .
H32 H 0.450595 0.179636 0.617880 0.060 Uiso 1 1 calc R U . . .
C34 C 0.72055(14) 0.15030(13) 0.49954(11) 0.0536(3) Uani 1 1 d . . . . .
C31 C 0.22578(14) 0.60379(13) 0.85880(12) 0.0537(3) Uani 1 1 d . . . . .
H31 H 0.237368 0.649980 0.785144 0.064 Uiso 1 1 calc R U . . .
C33 C 0.64456(14) 0.18109(13) 0.60436(11) 0.0525(3) Uani 1 1 d . . . . .
H33 H 0.699677 0.197011 0.639257 0.063 Uiso 1 1 calc R U . . .
C15 C 0.14832(13) 0.24312(13) 0.74356(10) 0.0492(3) Uani 1 1 d . . . . .
H15 H 0.184626 0.158898 0.777370 0.059 Uiso 1 1 calc R U . . .
C18 C 0.82589(14) -0.01444(14) 0.98342(12) 0.0567(3) Uani 1 1 d . . . . .
H18 H 0.893420 -0.061741 1.018702 0.068 Uiso 1 1 calc R U . . .
C11 C 0.16310(14) 0.47295(13) 0.66870(11) 0.0530(3) Uani 1 1 d . . . . .
H11 H 0.209020 0.544632 0.651572 0.064 Uiso 1 1 calc R U . . .
C16 C 0.66492(14) -0.01219(13) 0.88922(12) 0.0531(3) Uani 1 1 d . . . . .
H16 H 0.623290 -0.056250 0.863044 0.064 Uiso 1 1 calc R U . . .
C19 C 0.79037(14) 0.11803(13) 0.97177(11) 0.0529(3) Uani 1 1 d . . . . .
H19 H 0.831377 0.160413 0.999808 0.064 Uiso 1 1 calc R U . . .
C25 C 0.62878(14) 0.57997(13) 0.62313(11) 0.0533(3) Uani 1 1 d . . . . .
H25 H 0.629796 0.515974 0.592290 0.064 Uiso 1 1 calc R U . . .
C14 C 0.02626(14) 0.26222(15) 0.71439(12) 0.0567(3) Uani 1 1 d . . . . .
H14 H -0.018953 0.190747 0.729480 0.068 Uiso 1 1 calc R U . . .
C24 C 0.71252(15) 0.67846(15) 0.56257(12) 0.0601(3) Uani 1 1 d . . . . .
H24 H 0.768852 0.680437 0.491218 0.072 Uiso 1 1 calc R U . . .
C17 C 0.76312(15) -0.07904(13) 0.94367(12) 0.0582(3) Uani 1 1 d . . . . .
H17 H 0.787962 -0.168886 0.954077 0.070 Uiso 1 1 calc R U . . .
C30 C 0.10918(15) 0.64002(15) 0.93867(14) 0.0636(4) Uani 1 1 d . . . . .
H30 H 0.042522 0.710125 0.918556 0.076 Uiso 1 1 calc R U . . .
C13 C -0.02883(14) 0.38577(16) 0.66335(13) 0.0623(4) Uani 1 1 d . . . . .
H13 H -0.111487 0.398517 0.644793 0.075 Uiso 1 1 calc R U . . .
C39 C 0.65413(17) 0.11921(14) 0.43950(12) 0.0612(4) Uani 1 1 d . . . . .
H39 H 0.556319 0.122025 0.463571 0.073 Uiso 1 1 calc R U . . .
C29 C 0.09123(16) 0.57292(17) 1.04778(14) 0.0676(4) Uani 1 1 d . . . . .
H29 H 0.013043 0.598108 1.101476 0.081 Uiso 1 1 calc R U . . .
C21 C 0.54430(16) 0.67132(14) 0.77292(12) 0.0595(3) Uani 1 1 d . . . . .
H21 H 0.487799 0.670354 0.844031 0.071 Uiso 1 1 calc R U . . .
C23 C 0.71360(16) 0.77293(14) 0.60618(13) 0.0618(4) Uani 1 1 d . . . . .
H23 H 0.770734 0.838779 0.565203 0.074 Uiso 1 1 calc R U . . .
C28 C 0.18918(16) 0.46830(16) 1.07752(12) 0.0640(4) Uani 1 1 d . . . . .
H28 H 0.176847 0.422517 1.151339 0.077 Uiso 1 1 calc R U . . .
C12 C 0.04059(16) 0.48990(15) 0.64032(13) 0.0625(4) Uani 1 1 d . . . . .
H12 H 0.004749 0.573513 0.604970 0.075 Uiso 1 1 calc R U . . .
C22 C 0.62972(19) 0.76974(16) 0.71085(15) 0.0731(4) Uani 1 1 d . . . . .
H22 H 0.629746 0.834124 0.740919 0.088 Uiso 1 1 calc R U . . .
C35 C 0.86648(17) 0.14679(18) 0.45965(14) 0.0731(4) Uani 1 1 d . . . . .
H35 H 0.913599 0.167742 0.497815 0.088 Uiso 1 1 calc R U . . .
C37 C 0.8767(2) 0.08029(18) 0.30726(14) 0.0840(6) Uani 1 1 d . . . . .
H37 H 0.928746 0.055697 0.243752 0.101 Uiso 1 1 calc R U . . .
C38 C 0.7319(2) 0.08418(16) 0.34442(14) 0.0757(5) Uani 1 1 d . . . . .
H38 H 0.686147 0.063133 0.305363 0.091 Uiso 1 1 calc R U . . .
C36 C 0.9431(2) 0.1124(2) 0.36358(17) 0.0891(6) Uani 1 1 d . . . . .
H36 H 1.040709 0.111491 0.337691 0.107 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
O9 N1 1.4395(12) . ?
O9 C8 1.4536(13) . ?
N1 C10 1.4121(14) . ?
N1 C2 1.4844(14) . ?
N6 H6 0.8600 . ?
N6 C5 1.3800(15) . ?
N6 C7 1.3828(15) . ?
C5 C4 1.4112(17) . ?
C5 C19 1.3910(17) . ?
C4 C3 1.4333(16) . ?
C4 C16 1.3989(17) . ?
C7 C8 1.5052(15) . ?
C7 C3 1.3568(16) . ?
C8 C20 1.5284(16) . ?
C8 C26 1.5246(16) . ?
C20 C25 1.3874(18) . ?
C20 C21 1.3788(18) . ?
C26 C27 1.3812(18) . ?
C26 C31 1.3895(17) . ?
C3 C2 1.4982(15) . ?
C10 C15 1.3924(17) . ?
C10 C11 1.3911(17) . ?
C2 H2 0.9800 . ?
C2 C32 1.5106(17) . ?
C27 H27 0.9300 . ?
C27 C28 1.3928(19) . ?
C32 H32 0.9300 . ?
C32 C33 1.3138(19) . ?
C34 C33 1.4708(18) . ?
C34 C39 1.391(2) . ?
C34 C35 1.388(2) . ?
C31 H31 0.9300 . ?
C31 C30 1.380(2) . ?
C33 H33 0.9300 . ?
C15 H15 0.9300 . ?
C15 C14 1.3860(18) . ?
C18 H18 0.9300 . ?
C18 C19 1.378(2) . ?
C18 C17 1.390(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.3885(19) . ?
C16 H16 0.9300 . ?
C16 C17 1.3741(19) . ?
C19 H19 0.9300 . ?
C25 H25 0.9300 . ?
C25 C24 1.3795(19) . ?
C14 H14 0.9300 . ?
C14 C13 1.377(2) . ?
C24 H24 0.9300 . ?
C24 C23 1.363(2) . ?
C17 H17 0.9300 . ?
C30 H30 0.9300 . ?
C30 C29 1.374(2) . ?
C13 H13 0.9300 . ?
C13 C12 1.374(2) . ?
C39 H39 0.9300 . ?
C39 C38 1.383(2) . ?
C29 H29 0.9300 . ?
C29 C28 1.377(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.391(2) . ?
C23 H23 0.9300 . ?
C23 C22 1.367(2) . ?
C28 H28 0.9300 . ?
C12 H12 0.9300 . ?
C22 H22 0.9300 . ?
C35 H35 0.9300 . ?
C35 C36 1.389(3) . ?
C37 H37 0.9300 . ?
C37 C38 1.377(3) . ?
C37 C36 1.356(3) . ?
C38 H38 0.9300 . ?
C36 H36 0.9300 . ?

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
N1 O9 C8 108.58(8) . . ?
O9 N1 C2 108.56(8) . . ?
C10 N1 O9 109.99(9) . . ?
C10 N1 C2 120.25(9) . . ?
C5 N6 H6 125.6 . . ?
C5 N6 C7 108.74(9) . . ?
C7 N6 H6 125.6 . . ?
N6 C5 C4 107.54(10) . . ?
N6 C5 C19 130.85(12) . . ?
C19 C5 C4 121.60(11) . . ?
C5 C4 C3 106.65(10) . . ?
C16 C4 C5 118.95(11) . . ?
C16 C4 C3 134.39(11) . . ?
N6 C7 C8 126.62(10) . . ?
C3 C7 N6 109.58(10) . . ?
C3 C7 C8 123.67(10) . . ?
O9 C8 C7 104.84(8) . . ?
O9 C8 C20 104.03(9) . . ?
O9 C8 C26 109.84(9) . . ?
C7 C8 C20 111.35(9) . . ?
C7 C8 C26 113.08(10) . . ?
C26 C8 C20 112.97(9) . . ?
C25 C20 C8 119.80(10) . . ?
C21 C20 C8 122.04(11) . . ?
C21 C20 C25 118.15(12) . . ?
C27 C26 C8 123.04(11) . . ?
C27 C26 C31 118.92(12) . . ?
C31 C26 C8 118.04(11) . . ?
C4 C3 C2 130.36(10) . . ?
C7 C3 C4 107.47(10) . . ?
C7 C3 C2 122.16(10) . . ?
C15 C10 N1 120.01(11) . . ?
C11 C10 N1 121.35(11) . . ?
C11 C10 C15 118.34(11) . . ?
N1 C2 C3 105.41(9) . . ?
N1 C2 H2 107.3 . . ?
N1 C2 C32 114.13(10) . . ?
C3 C2 H2 107.3 . . ?
C3 C2 C32 114.94(10) . . ?
C32 C2 H2 107.3 . . ?
C26 C27 H27 119.9 . . ?
C26 C27 C28 120.26(13) . . ?
C28 C27 H27 119.9 . . ?
C2 C32 H32 117.2 . . ?
C33 C32 C2 125.55(11) . . ?
C33 C32 H32 117.2 . . ?
C39 C34 C33 123.24(13) . . ?
C35 C34 C33 119.04(14) . . ?
C35 C34 C39 117.67(14) . . ?
C26 C31 H31 119.7 . . ?
C30 C31 C26 120.60(14) . . ?
C30 C31 H31 119.7 . . ?
C32 C33 C34 127.52(13) . . ?
C32 C33 H33 116.2 . . ?
C34 C33 H33 116.2 . . ?
C10 C15 H15 119.7 . . ?
C14 C15 C10 120.67(12) . . ?
C14 C15 H15 119.7 . . ?
C19 C18 H18 119.2 . . ?
C19 C18 C17 121.51(12) . . ?
C17 C18 H18 119.2 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.00(13) . . ?
C12 C11 H11 120.0 . . ?
C4 C16 H16 120.4 . . ?
C17 C16 C4 119.16(12) . . ?
C17 C16 H16 120.4 . . ?
C5 C19 H19 121.1 . . ?
C18 C19 C5 117.74(12) . . ?
C18 C19 H19 121.1 . . ?
C20 C25 H25 119.6 . . ?
C24 C25 C20 120.83(13) . . ?
C24 C25 H25 119.6 . . ?
C15 C14 H14 119.6 . . ?
C13 C14 C15 120.77(13) . . ?
C13 C14 H14 119.6 . . ?
C25 C24 H24 119.6 . . ?
C23 C24 C25 120.71(14) . . ?
C23 C24 H24 119.6 . . ?
C18 C17 H17 119.5 . . ?
C16 C17 C18 121.00(13) . . ?
C16 C17 H17 119.5 . . ?
C31 C30 H30 119.9 . . ?
C29 C30 C31 120.24(14) . . ?
C29 C30 H30 119.9 . . ?
C14 C13 H13 120.6 . . ?
C12 C13 C14 118.76(12) . . ?
C12 C13 H13 120.6 . . ?
C34 C39 H39 119.6 . . ?
C38 C39 C34 120.75(16) . . ?
C38 C39 H39 119.6 . . ?
C30 C29 H29 120.1 . . ?
C30 C29 C28 119.90(13) . . ?
C28 C29 H29 120.1 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.30(14) . . ?
C22 C21 H21 119.8 . . ?
C24 C23 H23 120.4 . . ?
C24 C23 C22 119.23(13) . . ?
C22 C23 H23 120.4 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.09(14) . . ?
C29 C28 H28 120.0 . . ?
C11 C12 H12 119.3 . . ?
C13 C12 C11 121.41(13) . . ?
C13 C12 H12 119.3 . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.78(14) . . ?
C23 C22 H22 119.6 . . ?
C34 C35 H35 119.5 . . ?
C34 C35 C36 120.95(17) . . ?
C36 C35 H35 119.5 . . ?
C38 C37 H37 120.1 . . ?
C36 C37 H37 120.1 . . ?
C36 C37 C38 119.75(16) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 C39 120.38(18) . . ?
C37 C38 H38 119.8 . . ?
C35 C36 H36 119.8 . . ?
C37 C36 C35 120.49(17) . . ?
C37 C36 H36 119.8 . . ?

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
O9 N1 C10 C15 167.30(10) . . . . ?
O9 N1 C10 C11 -19.08(14) . . . . ?
O9 N1 C2 C3 55.18(11) . . . . ?
O9 N1 C2 C32 -71.89(11) . . . . ?
O9 C8 C20 C25 -38.14(13) . . . . ?
O9 C8 C20 C21 142.85(12) . . . . ?
O9 C8 C26 C27 125.45(12) . . . . ?
O9 C8 C26 C31 -54.35(13) . . . . ?
N1 O9 C8 C7 56.74(10) . . . . ?
N1 O9 C8 C20 173.77(8) . . . . ?
N1 O9 C8 C26 -65.05(10) . . . . ?
N1 C10 C15 C14 171.63(11) . . . . ?
N1 C10 C11 C12 -171.48(12) . . . . ?
N1 C2 C32 C33 120.57(14) . . . . ?
N6 C5 C4 C3 0.41(13) . . . . ?
N6 C5 C4 C16 -178.49(11) . . . . ?
N6 C5 C19 C18 179.83(13) . . . . ?
N6 C7 C8 O9 164.86(11) . . . . ?
N6 C7 C8 C20 52.97(15) . . . . ?
N6 C7 C8 C26 -75.49(15) . . . . ?
N6 C7 C3 C4 -1.24(14) . . . . ?
N6 C7 C3 C2 177.58(11) . . . . ?
C5 N6 C7 C8 177.56(11) . . . . ?
C5 N6 C7 C3 1.52(14) . . . . ?
C5 C4 C3 C7 0.51(13) . . . . ?
C5 C4 C3 C2 -178.18(12) . . . . ?
C5 C4 C16 C17 -1.45(19) . . . . ?
C4 C5 C19 C18 -0.08(19) . . . . ?
C4 C3 C2 N1 160.35(12) . . . . ?
C4 C3 C2 C32 -73.09(17) . . . . ?
C4 C16 C17 C18 0.1(2) . . . . ?
C7 N6 C5 C4 -1.17(13) . . . . ?
C7 N6 C5 C19 178.92(13) . . . . ?
C7 C8 C20 C25 74.27(13) . . . . ?
C7 C8 C20 C21 -104.74(13) . . . . ?
C7 C8 C26 C27 8.73(16) . . . . ?
C7 C8 C26 C31 -171.08(10) . . . . ?
C7 C3 C2 N1 -18.18(15) . . . . ?
C7 C3 C2 C32 108.39(13) . . . . ?
C8 O9 N1 C10 145.25(9) . . . . ?
C8 O9 N1 C2 -81.31(10) . . . . ?
C8 C7 C3 C4 -177.42(10) . . . . ?
C8 C7 C3 C2 1.40(18) . . . . ?
C8 C20 C25 C24 -179.24(12) . . . . ?
C8 C20 C21 C22 179.02(13) . . . . ?
C8 C26 C27 C28 179.53(11) . . . . ?
C8 C26 C31 C30 -179.82(12) . . . . ?
C20 C8 C26 C27 -118.90(12) . . . . ?
C20 C8 C26 C31 61.30(14) . . . . ?
C20 C25 C24 C23 0.4(2) . . . . ?
C20 C21 C22 C23 0.0(3) . . . . ?
C26 C8 C20 C25 -157.21(11) . . . . ?
C26 C8 C20 C21 23.78(16) . . . . ?
C26 C27 C28 C29 0.3(2) . . . . ?
C26 C31 C30 C29 0.3(2) . . . . ?
C3 C4 C16 C17 -179.97(14) . . . . ?
C3 C7 C8 O9 -19.63(15) . . . . ?
C3 C7 C8 C20 -131.52(12) . . . . ?
C3 C7 C8 C26 100.01(13) . . . . ?
C3 C2 C32 C33 -1.39(19) . . . . ?
C10 N1 C2 C3 -176.99(10) . . . . ?
C10 N1 C2 C32 55.95(14) . . . . ?
C10 C15 C14 C13 0.6(2) . . . . ?
C10 C11 C12 C13 -0.8(2) . . . . ?
C2 N1 C10 C15 40.13(15) . . . . ?
C2 N1 C10 C11 -146.26(12) . . . . ?
C2 C32 C33 C34 175.25(12) . . . . ?
C27 C26 C31 C30 0.37(19) . . . . ?
C34 C39 C38 C37 -0.4(2) . . . . ?
C34 C35 C36 C37 -0.7(3) . . . . ?
C31 C26 C27 C28 -0.67(19) . . . . ?
C31 C30 C29 C28 -0.6(2) . . . . ?
C33 C34 C39 C38 -176.49(13) . . . . ?
C33 C34 C35 C36 177.11(15) . . . . ?
C15 C10 C11 C12 2.24(19) . . . . ?
C15 C14 C13 C12 0.9(2) . . . . ?
C11 C10 C15 C14 -2.18(18) . . . . ?
C16 C4 C3 C7 179.15(14) . . . . ?
C16 C4 C3 C2 0.5(2) . . . . ?
C19 C5 C4 C3 -179.66(12) . . . . ?
C19 C5 C4 C16 1.44(18) . . . . ?
C19 C18 C17 C16 1.3(2) . . . . ?
C25 C20 C21 C22 0.0(2) . . . . ?
C25 C24 C23 C22 -0.4(2) . . . . ?
C14 C13 C12 C11 -0.8(2) . . . . ?
C24 C23 C22 C21 0.2(3) . . . . ?
C17 C18 C19 C5 -1.3(2) . . . . ?
C30 C29 C28 C27 0.3(2) . . . . ?
C39 C34 C33 C32 -2.5(2) . . . . ?
C39 C34 C35 C36 -0.5(2) . . . . ?
C21 C20 C25 C24 -0.19(19) . . . . ?
C35 C34 C33 C32 -179.99(15) . . . . ?
C35 C34 C39 C38 1.0(2) . . . . ?
C38 C37 C36 C35 1.3(3) . . . . ?
C36 C37 C38 C39 -0.7(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
