# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_mo_210905_dm_0m
_database_code_depnum_ccdc_archive 'CCDC 2217400'
loop_
_audit_author_name
_audit_author_address
'Yuanzhao Li'
;South China University of Technology
China
;
_audit_update_record             
;
2022-11-04 deposited with the CCDC.	2023-02-08 downloaded from the CCDC.
;
_audit_creation_date             2021-09-06
_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         'C31 H22 N2'
_chemical_formula_sum            'C31 H22 N2'
_chemical_formula_weight         422.50
_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                   8.175(10)
_cell_length_b                   9.526(9)
_cell_length_c                   16.407(19)
_cell_angle_alpha                96.44(6)
_cell_angle_beta                 101.24(6)
_cell_angle_gamma                114.04(4)
_cell_volume                     1118(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4403
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      26.92
_cell_measurement_theta_min      2.59
_shelx_estimated_absorpt_T_max   0.998
_shelx_estimated_absorpt_T_min   0.973
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6582
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1568 before and 0.0628 after correction.
The Ratio of minimum to maximum transmission is 0.8829.
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    1.255
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             444
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0621
_diffrn_reflns_av_unetI/netI     0.0602
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16930
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.282
_diffrn_reflns_theta_min         2.397
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'zju Bruker 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                3233
_reflns_number_total             4900
_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 V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_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         0.170
_refine_diff_density_min         -0.215
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4900
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0949
_refine_ls_R_factor_gt           0.0546
_refine_ls_restrained_S_all      1.052
_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)+(0.0483P)²+0.2844P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1387
_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:
 C3(H3), C4(H4), C6(H6), C7(H7), C9(H9), C10(H10), C12(H12), C13(H13),
 C15(H15), C16(H16), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24),
  C25(H25), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31)
;
_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
N1 N 1.5795(2) 0.2023(2) 0.31878(11) 0.0444(4) Uani 1 1 d . . . . .
N2 N 0.2746(2) 0.35333(19) 0.84845(9) 0.0360(4) Uani 1 1 d . . . . .
C1 C 1.4714(3) 0.2141(2) 0.35075(12) 0.0359(4) Uani 1 1 d . . . . .
C2 C 1.3431(3) 0.2295(2) 0.39567(11) 0.0339(4) Uani 1 1 d . . . . .
C3 C 1.4130(3) 0.3085(2) 0.48052(11) 0.0366(4) Uani 1 1 d . . . . .
H3 H 1.542411 0.352340 0.506987 0.044 Uiso 1 1 calc R . . . .
C4 C 1.2937(3) 0.3228(2) 0.52587(11) 0.0357(4) Uani 1 1 d . . . . .
H4 H 1.342325 0.377407 0.583706 0.043 Uiso 1 1 calc R . . . .
C5 C 1.1038(3) 0.2592(2) 0.48896(11) 0.0329(4) Uani 1 1 d . . . . .
C6 C 1.0360(3) 0.1810(2) 0.40350(11) 0.0374(5) Uani 1 1 d . . . . .
H6 H 0.906555 0.137350 0.377070 0.045 Uiso 1 1 calc R . . . .
C7 C 1.1533(3) 0.1662(2) 0.35692(12) 0.0392(5) Uani 1 1 d . . . . .
H7 H 1.105249 0.113116 0.298825 0.047 Uiso 1 1 calc R . . . .
C8 C 0.9794(3) 0.2740(2) 0.54027(11) 0.0322(4) Uani 1 1 d . . . . .
C9 C 1.0252(3) 0.4157(2) 0.59382(12) 0.0423(5) Uani 1 1 d . . . . .
H9 H 1.136266 0.505262 0.596056 0.051 Uiso 1 1 calc R . . . .
C10 C 0.9125(3) 0.4289(2) 0.64382(12) 0.0413(5) Uani 1 1 d . . . . .
H10 H 0.947182 0.527994 0.679087 0.050 Uiso 1 1 calc R . . . .
C11 C 0.7498(3) 0.3014(2) 0.64411(10) 0.0303(4) Uani 1 1 d . . . . .
C12 C 0.7047(3) 0.1594(2) 0.59002(12) 0.0365(4) Uani 1 1 d . . . . .
H12 H 0.594502 0.069338 0.588232 0.044 Uiso 1 1 calc R . . . .
C13 C 0.8158(3) 0.1464(2) 0.53912(12) 0.0366(4) Uani 1 1 d . . . . .
H13 H 0.779696 0.048126 0.502565 0.044 Uiso 1 1 calc R . . . .
C14 C 0.6286(3) 0.3158(2) 0.69784(10) 0.0302(4) Uani 1 1 d . . . . .
C15 C 0.6763(3) 0.4539(2) 0.75575(12) 0.0365(4) Uani 1 1 d . . . . .
H15 H 0.791579 0.541866 0.761715 0.044 Uiso 1 1 calc R . . . .
C16 C 0.5621(3) 0.4673(2) 0.80460(12) 0.0381(5) Uani 1 1 d . . . . .
H16 H 0.600630 0.563694 0.843367 0.046 Uiso 1 1 calc R . . . .
C17 C 0.3907(3) 0.3420(2) 0.79835(11) 0.0323(4) Uani 1 1 d . . . . .
C18 C 0.3418(3) 0.2033(2) 0.74103(12) 0.0394(5) Uani 1 1 d . . . . .
H18 H 0.226141 0.115496 0.734700 0.047 Uiso 1 1 calc R . . . .
C19 C 0.4587(3) 0.1914(2) 0.69321(12) 0.0394(5) Uani 1 1 d . . . . .
H19 H 0.421717 0.094109 0.655534 0.047 Uiso 1 1 calc R . . . .
C20 C 0.2886(3) 0.5011(2) 0.88665(12) 0.0347(4) Uani 1 1 d . . . . .
C21 C 0.3067(3) 0.6200(2) 0.84186(13) 0.0396(5) Uani 1 1 d . . . . .
H21 H 0.310530 0.603855 0.784194 0.047 Uiso 1 1 calc R . . . .
C22 C 0.3191(3) 0.7614(3) 0.88102(14) 0.0456(5) Uani 1 1 d . . . . .
H22 H 0.333363 0.842620 0.850357 0.055 Uiso 1 1 calc R . . . .
C23 C 0.3109(3) 0.7856(3) 0.96431(14) 0.0466(5) Uani 1 1 d . . . . .
H23 H 0.319239 0.882975 0.990998 0.056 Uiso 1 1 calc R . . . .
C24 C 0.2904(3) 0.6666(3) 1.00873(13) 0.0499(6) Uani 1 1 d . . . . .
H24 H 0.283203 0.682259 1.065894 0.060 Uiso 1 1 calc R . . . .
C25 C 0.2803(3) 0.5254(3) 0.97044(12) 0.0446(5) Uani 1 1 d . . . . .
H25 H 0.267643 0.444952 1.001527 0.053 Uiso 1 1 calc R . . . .
C26 C 0.1227(3) 0.2159(2) 0.85550(11) 0.0317(4) Uani 1 1 d . . . . .
C27 C -0.0562(3) 0.2025(2) 0.83185(11) 0.0371(5) Uani 1 1 d . . . . .
H27 H -0.076689 0.284066 0.810189 0.045 Uiso 1 1 calc R . . . .
C28 C -0.2044(3) 0.0721(3) 0.83950(12) 0.0413(5) Uani 1 1 d . . . . .
H28 H -0.326409 0.064346 0.823402 0.050 Uiso 1 1 calc R . . . .
C29 C -0.1763(3) -0.0476(3) 0.87052(12) 0.0416(5) Uani 1 1 d . . . . .
H29 H -0.278629 -0.137603 0.875726 0.050 Uiso 1 1 calc R . . . .
C30 C 0.0009(3) -0.0357(3) 0.89386(13) 0.0437(5) Uani 1 1 d . . . . .
H30 H 0.020199 -0.118428 0.914672 0.052 Uiso 1 1 calc R . . . .
C31 C 0.1505(3) 0.0952(2) 0.88724(12) 0.0387(5) Uani 1 1 d . . . . .
H31 H 0.272486 0.103262 0.904298 0.046 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
N1 C1 1.147(3) . ?
N2 C17 1.399(3) . ?
N2 C20 1.425(3) . ?
N2 C26 1.427(3) . ?
C1 C2 1.438(3) . ?
C2 C3 1.391(3) . ?
C2 C7 1.393(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.375(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.389(3) . ?
C5 C6 1.398(3) . ?
C5 C8 1.479(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.377(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.389(3) . ?
C8 C13 1.388(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.379(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.390(3) . ?
C11 C12 1.396(3) . ?
C11 C14 1.484(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.379(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.394(3) . ?
C14 C19 1.391(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.377(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.397(3) . ?
C17 C18 1.390(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.379(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.392(3) . ?
C20 C25 1.388(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.381(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.379(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.386(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.382(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.386(3) . ?
C26 C31 1.394(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.376(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.382(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.378(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.380(3) . ?
C31 H31 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
C17 N2 C20 122.08(16) . . ?
C17 N2 C26 120.74(16) . . ?
C20 N2 C26 116.81(16) . . ?
N1 C1 C2 176.6(2) . . ?
C3 C2 C1 118.08(19) . . ?
C3 C2 C7 120.03(18) . . ?
C7 C2 C1 121.88(19) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 C2 119.64(19) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 119.3 . . ?
C3 C4 C5 121.43(19) . . ?
C5 C4 H4 119.3 . . ?
C4 C5 C6 118.19(18) . . ?
C4 C5 C8 119.88(18) . . ?
C6 C5 C8 121.93(19) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 C5 121.2(2) . . ?
C7 C6 H6 119.4 . . ?
C2 C7 H7 120.3 . . ?
C6 C7 C2 119.5(2) . . ?
C6 C7 H7 120.3 . . ?
C9 C8 C5 121.02(18) . . ?
C13 C8 C5 121.64(18) . . ?
C13 C8 C9 117.31(18) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.3(2) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 119.0 . . ?
C9 C10 C11 121.9(2) . . ?
C11 C10 H10 119.0 . . ?
C10 C11 C12 116.42(18) . . ?
C10 C11 C14 121.88(18) . . ?
C12 C11 C14 121.69(18) . . ?
C11 C12 H12 119.1 . . ?
C13 C12 C11 121.77(19) . . ?
C13 C12 H12 119.1 . . ?
C8 C13 H13 119.4 . . ?
C12 C13 C8 121.29(19) . . ?
C12 C13 H13 119.4 . . ?
C15 C14 C11 122.55(18) . . ?
C19 C14 C11 121.80(18) . . ?
C19 C14 C15 115.66(18) . . ?
C14 C15 H15 118.8 . . ?
C16 C15 C14 122.30(19) . . ?
C16 C15 H15 118.8 . . ?
C15 C16 H16 119.3 . . ?
C15 C16 C17 121.35(19) . . ?
C17 C16 H16 119.3 . . ?
C16 C17 N2 121.91(18) . . ?
C18 C17 N2 121.17(18) . . ?
C18 C17 C16 116.91(18) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 121.0(2) . . ?
C19 C18 H18 119.5 . . ?
C14 C19 H19 118.6 . . ?
C18 C19 C14 122.78(19) . . ?
C18 C19 H19 118.6 . . ?
C21 C20 N2 121.89(18) . . ?
C25 C20 N2 118.80(18) . . ?
C25 C20 C21 119.29(19) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.2(2) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.5(2) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.3 . . ?
C22 C23 C24 119.4(2) . . ?
C24 C23 H23 120.3 . . ?
C23 C24 H24 119.8 . . ?
C25 C24 C23 120.5(2) . . ?
C25 C24 H24 119.8 . . ?
C20 C25 H25 120.0 . . ?
C24 C25 C20 120.1(2) . . ?
C24 C25 H25 120.0 . . ?
C27 C26 N2 119.59(18) . . ?
C27 C26 C31 119.05(19) . . ?
C31 C26 N2 121.35(19) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.5(2) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.2(2) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.7(2) . . ?
C30 C29 H29 120.1 . . ?
C29 C30 H30 119.7 . . ?
C29 C30 C31 120.5(2) . . ?
C31 C30 H30 119.7 . . ?
C26 C31 H31 120.0 . . ?
C30 C31 C26 120.0(2) . . ?
C30 C31 H31 120.0 . . ?

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 C17 C18 C19 -178.43(17) . . . . ?
N2 C20 C21 C22 179.73(18) . . . . ?
N2 C20 C25 C24 -178.92(19) . . . . ?
N2 C26 C27 C28 -178.89(16) . . . . ?
N2 C26 C31 C30 179.53(17) . . . . ?
C1 C2 C3 C4 -178.74(17) . . . . ?
C1 C2 C7 C6 178.39(18) . . . . ?
C2 C3 C4 C5 0.4(3) . . . . ?
C3 C2 C7 C6 -0.7(3) . . . . ?
C3 C4 C5 C6 -0.7(3) . . . . ?
C3 C4 C5 C8 178.67(18) . . . . ?
C4 C5 C6 C7 0.4(3) . . . . ?
C4 C5 C8 C9 44.7(3) . . . . ?
C4 C5 C8 C13 -133.2(2) . . . . ?
C5 C6 C7 C2 0.3(3) . . . . ?
C5 C8 C9 C10 -177.96(18) . . . . ?
C5 C8 C13 C12 177.09(17) . . . . ?
C6 C5 C8 C9 -135.9(2) . . . . ?
C6 C5 C8 C13 46.2(3) . . . . ?
C7 C2 C3 C4 0.3(3) . . . . ?
C8 C5 C6 C7 -178.98(18) . . . . ?
C8 C9 C10 C11 0.9(3) . . . . ?
C9 C8 C13 C12 -0.9(3) . . . . ?
C9 C10 C11 C12 -1.0(3) . . . . ?
C9 C10 C11 C14 -179.91(18) . . . . ?
C10 C11 C12 C13 0.1(3) . . . . ?
C10 C11 C14 C15 -4.8(3) . . . . ?
C10 C11 C14 C19 174.94(18) . . . . ?
C11 C12 C13 C8 0.8(3) . . . . ?
C11 C14 C15 C16 179.10(17) . . . . ?
C11 C14 C19 C18 -178.39(17) . . . . ?
C12 C11 C14 C15 176.27(17) . . . . ?
C12 C11 C14 C19 -4.0(3) . . . . ?
C13 C8 C9 C10 0.0(3) . . . . ?
C14 C11 C12 C13 179.04(17) . . . . ?
C14 C15 C16 C17 -0.2(3) . . . . ?
C15 C14 C19 C18 1.4(3) . . . . ?
C15 C16 C17 N2 179.11(17) . . . . ?
C15 C16 C17 C18 0.4(3) . . . . ?
C16 C17 C18 C19 0.3(3) . . . . ?
C17 N2 C20 C21 44.9(3) . . . . ?
C17 N2 C20 C25 -136.3(2) . . . . ?
C17 N2 C26 C27 -121.7(2) . . . . ?
C17 N2 C26 C31 59.5(2) . . . . ?
C17 C18 C19 C14 -1.2(3) . . . . ?
C19 C14 C15 C16 -0.7(3) . . . . ?
C20 N2 C17 C16 21.6(3) . . . . ?
C20 N2 C17 C18 -159.78(18) . . . . ?
C20 N2 C26 C27 51.6(2) . . . . ?
C20 N2 C26 C31 -127.3(2) . . . . ?
C20 C21 C22 C23 -1.0(3) . . . . ?
C21 C20 C25 C24 -0.1(3) . . . . ?
C21 C22 C23 C24 0.1(3) . . . . ?
C22 C23 C24 C25 0.7(4) . . . . ?
C23 C24 C25 C20 -0.7(4) . . . . ?
C25 C20 C21 C22 1.0(3) . . . . ?
C26 N2 C17 C16 -165.55(17) . . . . ?
C26 N2 C17 C18 13.1(3) . . . . ?
C26 N2 C20 C21 -128.2(2) . . . . ?
C26 N2 C20 C25 50.5(3) . . . . ?
C26 C27 C28 C29 -0.3(3) . . . . ?
C27 C26 C31 C30 0.7(3) . . . . ?
C27 C28 C29 C30 0.1(3) . . . . ?
C28 C29 C30 C31 0.6(3) . . . . ?
C29 C30 C31 C26 -1.0(3) . . . . ?
C31 C26 C27 C28 0.0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
