# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 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_111
_database_code_depnum_ccdc_archive 'CCDC 2006857'
loop_
_audit_author_name
_audit_author_address
'lele tang'
;Nanjing University of Posts and Telecommunications
China
;
_audit_update_record             
;
2020-06-01 deposited with the CCDC.	2020-10-05 downloaded from the CCDC.
;
_audit_creation_date             2019-12-30
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H19 N3 O2'
_chemical_formula_sum            'C31 H19 N3 O2'
_chemical_formula_weight         465.49
_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                   5.1443(6)
_cell_length_b                   14.4148(17)
_cell_length_c                   14.9692(16)
_cell_angle_alpha                92.880(3)
_cell_angle_beta                 93.257(3)
_cell_angle_gamma                90.232(3)
_cell_volume                     1106.8(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3743
_cell_measurement_temperature    296.93
_cell_measurement_theta_max      27.878
_cell_measurement_theta_min      3.01
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.089
_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            yellow
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             484
_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  0.0237
_diffrn_reflns_av_unetI/netI     0.0411
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9157
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.878
_diffrn_reflns_theta_min         3.010
_diffrn_ambient_temperature      296.93
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3743
_reflns_number_total             5182
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.152
_refine_diff_density_min         -0.199
_refine_diff_density_rms         0.040
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5182
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0475
_refine_ls_restrained_S_all      1.058
_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)+(0.0474P)²+0.2057P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1054
_refine_ls_wR_factor_ref         0.1172
_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), C2(H2), C30(H30), C18(H18), C17(H17), C21(H21), C27(H27), C29(H29),
 C9(H9), C22(H22), C10(H10), C3(H3), C15(H15), C24(H24), C28(H28), C11(H11),
 C12(H12), C23(H23), C16(H16)
;
_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
N1 N 0.3063(2) 0.23978(8) 0.87566(7) 0.0334(3) Uani 1 1 d . . . . .
N2 N 0.3666(2) 0.02599(8) 0.81663(8) 0.0355(3) Uani 1 1 d . . . . .
C5 C 0.3928(3) 0.32556(10) 0.90038(9) 0.0338(3) Uani 1 1 d . . . . .
N3 N 0.1163(2) 0.41208(8) 0.78837(8) 0.0352(3) Uani 1 1 d . . . . .
O1 O 0.1937(3) 0.46724(8) 0.93106(8) 0.0544(3) Uani 1 1 d . . . . .
C14 C 0.5192(3) -0.02159(11) 0.68140(10) 0.0415(4) Uani 1 1 d . . . . .
C1 C 0.4358(3) 0.17015(10) 0.91335(9) 0.0350(3) Uani 1 1 d . . . . .
C7 C 0.2306(3) 0.40696(10) 0.87370(10) 0.0361(3) Uani 1 1 d . . . . .
C4 C 0.6067(3) 0.34362(11) 0.95954(10) 0.0431(4) Uani 1 1 d . . . . .
H4 H 0.660486 0.404368 0.974560 0.052 Uiso 1 1 calc R U . . .
C31 C -0.0865(3) 0.47591(10) 0.76751(10) 0.0374(3) Uani 1 1 d . . . . .
C20 C 0.1889(3) 0.36767(10) 0.70652(9) 0.0346(3) Uani 1 1 d . . . . .
C19 C 0.5471(3) 0.04641(10) 0.75133(10) 0.0353(3) Uani 1 1 d . . . . .
C2 C 0.6483(3) 0.18137(12) 0.97316(11) 0.0468(4) Uani 1 1 d . . . . .
H2 H 0.729597 0.130321 0.997845 0.056 Uiso 1 1 calc R U . . .
O2 O 0.1887(3) 0.04381(9) 0.95039(9) 0.0791(5) Uani 1 1 d . . . . .
C6 C 0.3204(3) 0.07468(11) 0.89474(10) 0.0417(4) Uani 1 1 d . . . . .
C25 C 0.0264(3) 0.40016(11) 0.63702(10) 0.0400(4) Uani 1 1 d . . . . .
C26 C -0.1458(3) 0.46812(11) 0.67523(11) 0.0406(4) Uani 1 1 d . . . . .
C30 C -0.2232(3) 0.53564(11) 0.82340(12) 0.0469(4) Uani 1 1 d . . . . .
H30 H -0.183934 0.540684 0.884873 0.056 Uiso 1 1 calc R U . . .
C18 C 0.7374(3) 0.11472(11) 0.75202(10) 0.0400(4) Uani 1 1 d . . . . .
H18 H 0.761909 0.157908 0.800072 0.048 Uiso 1 1 calc R U . . .
C8 C 0.2323(3) -0.05758(10) 0.78651(11) 0.0401(4) Uani 1 1 d . . . . .
C17 C 0.8897(3) 0.11662(12) 0.67897(12) 0.0486(4) Uani 1 1 d . . . . .
H17 H 1.017603 0.162246 0.677824 0.058 Uiso 1 1 calc R U . . .
C21 C 0.3892(3) 0.30677(10) 0.68885(10) 0.0397(4) Uani 1 1 d . . . . .
H21 H 0.502829 0.287513 0.734713 0.048 Uiso 1 1 calc R U . . .
C13 C 0.3245(3) -0.08755(11) 0.70445(11) 0.0443(4) Uani 1 1 d . . . . .
C27 C -0.3441(4) 0.52114(12) 0.63776(13) 0.0528(4) Uani 1 1 d . . . . .
H27 H -0.384787 0.516603 0.576361 0.063 Uiso 1 1 calc R U . . .
C29 C -0.4199(4) 0.58717(12) 0.78374(14) 0.0549(5) Uani 1 1 d . . . . .
H29 H -0.514778 0.627566 0.819522 0.066 Uiso 1 1 calc R U . . .
C9 C 0.0361(3) -0.10421(11) 0.82647(12) 0.0493(4) Uani 1 1 d . . . . .
H9 H -0.028613 -0.082304 0.880277 0.059 Uiso 1 1 calc R U . . .
C22 C 0.4153(4) 0.27551(12) 0.60127(11) 0.0481(4) Uani 1 1 d . . . . .
H22 H 0.547044 0.233793 0.588319 0.058 Uiso 1 1 calc R U . . .
C10 C -0.0582(4) -0.18522(13) 0.78177(15) 0.0613(5) Uani 1 1 d . . . . .
H10 H -0.188597 -0.218675 0.806647 0.074 Uiso 1 1 calc R U . . .
C3 C 0.7374(4) 0.27027(13) 0.99543(11) 0.0508(4) Uani 1 1 d . . . . .
H3 H 0.883681 0.280359 1.034168 0.061 Uiso 1 1 calc R U . . .
C15 C 0.6739(4) -0.01753(13) 0.60841(12) 0.0546(5) Uani 1 1 d . . . . .
H15 H 0.654235 -0.061467 0.560811 0.066 Uiso 1 1 calc R U . . .
C24 C 0.0571(4) 0.36750(14) 0.54937(11) 0.0551(5) Uani 1 1 d . . . . .
H24 H -0.051951 0.387901 0.502799 0.066 Uiso 1 1 calc R U . . .
C28 C -0.4796(4) 0.58042(13) 0.69245(15) 0.0583(5) Uani 1 1 d . . . . .
H28 H -0.612676 0.616309 0.667859 0.070 Uiso 1 1 calc R U . . .
C11 C 0.0353(4) -0.21756(13) 0.70173(16) 0.0668(6) Uani 1 1 d . . . . .
H11 H -0.030146 -0.272889 0.674526 0.080 Uiso 1 1 calc R U . . .
C12 C 0.2247(4) -0.16918(13) 0.66115(14) 0.0602(5) Uani 1 1 d . . . . .
H12 H 0.284238 -0.190466 0.606354 0.072 Uiso 1 1 calc R U . . .
C23 C 0.2506(4) 0.30466(14) 0.53231(11) 0.0583(5) Uani 1 1 d . . . . .
H23 H 0.270730 0.281639 0.473973 0.070 Uiso 1 1 calc R U . . .
C16 C 0.8562(4) 0.05234(14) 0.60766(12) 0.0574(5) Uani 1 1 d . . . . .
H16 H 0.958026 0.056366 0.558612 0.069 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
N1 C5 1.3396(17) . ?
N1 C1 1.3374(19) . ?
N2 C19 1.4262(19) . ?
N2 C6 1.366(2) . ?
N2 C8 1.4264(18) . ?
C5 C7 1.500(2) . ?
C5 C4 1.388(2) . ?
N3 C7 1.3811(19) . ?
N3 C31 1.426(2) . ?
N3 C20 1.4234(19) . ?
O1 C7 1.2137(17) . ?
C14 C19 1.399(2) . ?
C14 C13 1.446(2) . ?
C14 C15 1.391(2) . ?
C1 C2 1.377(2) . ?
C1 C6 1.503(2) . ?
C4 H4 0.9300 . ?
C4 C3 1.371(2) . ?
C31 C26 1.396(2) . ?
C31 C30 1.391(2) . ?
C20 C25 1.398(2) . ?
C20 C21 1.385(2) . ?
C19 C18 1.385(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.378(2) . ?
O2 C6 1.2041(19) . ?
C25 C26 1.442(2) . ?
C25 C24 1.389(2) . ?
C26 C27 1.387(2) . ?
C30 H30 0.9300 . ?
C30 C29 1.382(3) . ?
C18 H18 0.9300 . ?
C18 C17 1.382(2) . ?
C8 C13 1.391(2) . ?
C8 C9 1.390(2) . ?
C17 H17 0.9300 . ?
C17 C16 1.381(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.379(2) . ?
C13 C12 1.396(2) . ?
C27 H27 0.9300 . ?
C27 C28 1.373(3) . ?
C29 H29 0.9300 . ?
C29 C28 1.382(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.388(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.381(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.377(3) . ?
C3 H3 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.374(3) . ?
C24 H24 0.9300 . ?
C24 C23 1.375(3) . ?
C28 H28 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.382(3) . ?
C12 H12 0.9300 . ?
C23 H23 0.9300 . ?
C16 H16 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
C1 N1 C5 115.89(12) . . ?
C19 N2 C8 107.65(12) . . ?
C6 N2 C19 128.65(12) . . ?
C6 N2 C8 123.70(13) . . ?
N1 C5 C7 118.70(13) . . ?
N1 C5 C4 123.55(14) . . ?
C4 C5 C7 117.17(13) . . ?
C7 N3 C31 122.47(13) . . ?
C7 N3 C20 129.33(13) . . ?
C20 N3 C31 107.78(12) . . ?
C19 C14 C13 107.86(14) . . ?
C15 C14 C19 119.67(16) . . ?
C15 C14 C13 132.44(15) . . ?
N1 C1 C2 124.63(14) . . ?
N1 C1 C6 116.12(13) . . ?
C2 C1 C6 118.97(14) . . ?
N3 C7 C5 121.85(12) . . ?
O1 C7 C5 117.57(13) . . ?
O1 C7 N3 120.51(15) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 C5 118.79(14) . . ?
C3 C4 H4 120.6 . . ?
C26 C31 N3 108.19(13) . . ?
C30 C31 N3 130.30(15) . . ?
C30 C31 C26 121.45(15) . . ?
C25 C20 N3 108.12(13) . . ?
C21 C20 N3 130.89(14) . . ?
C21 C20 C25 120.88(14) . . ?
C14 C19 N2 108.11(13) . . ?
C18 C19 N2 130.62(13) . . ?
C18 C19 C14 121.13(15) . . ?
C1 C2 H2 120.9 . . ?
C1 C2 C3 118.19(15) . . ?
C3 C2 H2 120.9 . . ?
N2 C6 C1 119.90(13) . . ?
O2 C6 N2 122.23(14) . . ?
O2 C6 C1 117.87(14) . . ?
C20 C25 C26 107.96(13) . . ?
C24 C25 C20 119.76(16) . . ?
C24 C25 C26 132.24(16) . . ?
C31 C26 C25 107.87(14) . . ?
C27 C26 C31 119.73(16) . . ?
C27 C26 C25 132.40(16) . . ?
C31 C30 H30 121.4 . . ?
C29 C30 C31 117.20(17) . . ?
C29 C30 H30 121.4 . . ?
C19 C18 H18 121.1 . . ?
C17 C18 C19 117.84(15) . . ?
C17 C18 H18 121.1 . . ?
C13 C8 N2 108.46(14) . . ?
C9 C8 N2 129.04(15) . . ?
C9 C8 C13 122.48(15) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 C18 121.50(17) . . ?
C16 C17 H17 119.2 . . ?
C20 C21 H21 121.0 . . ?
C22 C21 C20 118.06(15) . . ?
C22 C21 H21 121.0 . . ?
C8 C13 C14 107.89(13) . . ?
C8 C13 C12 119.56(17) . . ?
C12 C13 C14 132.55(17) . . ?
C26 C27 H27 120.4 . . ?
C28 C27 C26 119.18(18) . . ?
C28 C27 H27 120.4 . . ?
C30 C29 H29 119.0 . . ?
C30 C29 C28 121.91(18) . . ?
C28 C29 H29 119.0 . . ?
C8 C9 H9 121.8 . . ?
C10 C9 C8 116.43(18) . . ?
C10 C9 H9 121.8 . . ?
C21 C22 H22 119.2 . . ?
C21 C22 C23 121.59(17) . . ?
C23 C22 H22 119.2 . . ?
C9 C10 H10 119.0 . . ?
C11 C10 C9 122.03(19) . . ?
C11 C10 H10 119.0 . . ?
C4 C3 C2 118.91(15) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C14 C15 H15 120.5 . . ?
C16 C15 C14 119.03(16) . . ?
C16 C15 H15 120.5 . . ?
C25 C24 H24 120.4 . . ?
C23 C24 C25 119.21(16) . . ?
C23 C24 H24 120.4 . . ?
C27 C28 C29 120.52(17) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 121.10(17) . . ?
C12 C11 H11 119.5 . . ?
C13 C12 H12 120.8 . . ?
C11 C12 C13 118.35(19) . . ?
C11 C12 H12 120.8 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.40(16) . . ?
C24 C23 H23 119.8 . . ?
C17 C16 H16 119.7 . . ?
C15 C16 C17 120.70(17) . . ?
C15 C16 H16 119.7 . . ?

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
N1 C5 C7 N3 -44.3(2) . . . . ?
N1 C5 C7 O1 132.76(15) . . . . ?
N1 C5 C4 C3 -0.4(2) . . . . ?
N1 C1 C2 C3 -0.8(2) . . . . ?
N1 C1 C6 N2 82.01(19) . . . . ?
N1 C1 C6 O2 -97.98(19) . . . . ?
N2 C19 C18 C17 178.59(15) . . . . ?
N2 C8 C13 C14 -0.50(17) . . . . ?
N2 C8 C13 C12 179.33(14) . . . . ?
N2 C8 C9 C10 -179.58(15) . . . . ?
C5 N1 C1 C2 -1.0(2) . . . . ?
C5 N1 C1 C6 172.77(13) . . . . ?
C5 C4 C3 C2 -1.5(3) . . . . ?
N3 C31 C26 C25 -1.45(16) . . . . ?
N3 C31 C26 C27 177.97(13) . . . . ?
N3 C31 C30 C29 -177.23(14) . . . . ?
N3 C20 C25 C26 1.76(16) . . . . ?
N3 C20 C25 C24 179.93(14) . . . . ?
N3 C20 C21 C22 -178.99(14) . . . . ?
C14 C19 C18 C17 3.5(2) . . . . ?
C14 C13 C12 C11 -179.99(17) . . . . ?
C14 C15 C16 C17 1.3(3) . . . . ?
C1 N1 C5 C7 -169.42(13) . . . . ?
C1 N1 C5 C4 1.6(2) . . . . ?
C1 C2 C3 C4 2.0(3) . . . . ?
C7 C5 C4 C3 170.75(15) . . . . ?
C7 N3 C31 C26 175.81(12) . . . . ?
C7 N3 C31 C30 -6.8(2) . . . . ?
C7 N3 C20 C25 -175.32(13) . . . . ?
C7 N3 C20 C21 0.9(2) . . . . ?
C4 C5 C7 N3 144.14(14) . . . . ?
C4 C5 C7 O1 -38.8(2) . . . . ?
C31 N3 C7 C5 164.36(13) . . . . ?
C31 N3 C7 O1 -12.6(2) . . . . ?
C31 N3 C20 C25 -2.65(15) . . . . ?
C31 N3 C20 C21 173.52(15) . . . . ?
C31 C26 C27 C28 -0.2(2) . . . . ?
C31 C30 C29 C28 -0.2(2) . . . . ?
C20 N3 C7 C5 -23.9(2) . . . . ?
C20 N3 C7 O1 159.10(15) . . . . ?
C20 N3 C31 C26 2.53(15) . . . . ?
C20 N3 C31 C30 179.91(15) . . . . ?
C20 C25 C26 C31 -0.20(16) . . . . ?
C20 C25 C26 C27 -179.51(16) . . . . ?
C20 C25 C24 C23 -1.1(3) . . . . ?
C20 C21 C22 C23 1.0(2) . . . . ?
C19 N2 C6 C1 10.5(2) . . . . ?
C19 N2 C6 O2 -169.51(17) . . . . ?
C19 N2 C8 C13 -0.69(16) . . . . ?
C19 N2 C8 C9 -178.90(15) . . . . ?
C19 C14 C13 C8 1.53(17) . . . . ?
C19 C14 C13 C12 -178.28(18) . . . . ?
C19 C14 C15 C16 1.6(3) . . . . ?
C19 C18 C17 C16 -0.5(3) . . . . ?
C2 C1 C6 N2 -103.85(18) . . . . ?
C2 C1 C6 O2 76.2(2) . . . . ?
C6 N2 C19 C14 -178.12(15) . . . . ?
C6 N2 C19 C18 6.3(3) . . . . ?
C6 N2 C8 C13 179.09(14) . . . . ?
C6 N2 C8 C9 0.9(2) . . . . ?
C6 C1 C2 C3 -174.37(15) . . . . ?
C25 C20 C21 C22 -3.2(2) . . . . ?
C25 C26 C27 C28 179.08(16) . . . . ?
C25 C24 C23 C22 -1.1(3) . . . . ?
C26 C31 C30 C29 -0.2(2) . . . . ?
C26 C25 C24 C23 176.55(17) . . . . ?
C26 C27 C28 C29 -0.1(3) . . . . ?
C30 C31 C26 C25 -179.10(14) . . . . ?
C30 C31 C26 C27 0.3(2) . . . . ?
C30 C29 C28 C27 0.3(3) . . . . ?
C18 C17 C16 C15 -1.9(3) . . . . ?
C8 N2 C19 C14 1.64(16) . . . . ?
C8 N2 C19 C18 -173.96(15) . . . . ?
C8 N2 C6 C1 -169.23(13) . . . . ?
C8 N2 C6 O2 10.8(3) . . . . ?
C8 C13 C12 C11 0.2(3) . . . . ?
C8 C9 C10 C11 -0.5(3) . . . . ?
C21 C20 C25 C26 -174.87(13) . . . . ?
C21 C20 C25 C24 3.3(2) . . . . ?
C21 C22 C23 C24 1.1(3) . . . . ?
C13 C14 C19 N2 -1.94(16) . . . . ?
C13 C14 C19 C18 174.16(14) . . . . ?
C13 C14 C15 C16 -176.10(17) . . . . ?
C13 C8 C9 C10 2.4(2) . . . . ?
C9 C8 C13 C14 177.86(14) . . . . ?
C9 C8 C13 C12 -2.3(2) . . . . ?
C9 C10 C11 C12 -1.5(3) . . . . ?
C10 C11 C12 C13 1.6(3) . . . . ?
C15 C14 C19 N2 179.86(14) . . . . ?
C15 C14 C19 C18 -4.0(2) . . . . ?
C15 C14 C13 C8 179.40(17) . . . . ?
C15 C14 C13 C12 -0.4(3) . . . . ?
C24 C25 C26 C31 -178.05(17) . . . . ?
C24 C25 C26 C27 2.6(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
