# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_fuqi-1_autored
_audit_block_doi                 10.5517/ccdc.csd.cc2pj17j
_database_code_depnum_ccdc_archive 'CCDC 2488067'
loop_
_audit_author_name
_audit_author_address
'Qu fu'
;Zhejiang Sci Tech University
China
;
_audit_update_record             
;
2025-09-15 deposited with the CCDC.	2026-06-08 downloaded from the CCDC.
;
_audit_creation_date             2025-04-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.03.04 svn.red2d20d0 for OlexSys, GUI svn.r7188)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H20 N4'
_chemical_formula_sum            'C31 H20 N4'
_chemical_formula_weight         448.51
_chemical_melting_point          ?
_chemical_oxdiff_formula         c31h20n4
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'

_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   20.6286(8)
_cell_length_b                   5.22622(16)
_cell_length_c                   41.3488(16)
_cell_angle_alpha                90
_cell_angle_beta                 102.237(4)
_cell_angle_gamma                90
_cell_volume                     4356.5(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    5030
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.5690
_cell_measurement_theta_min      4.3790
_cell_oxdiff_angle_alpha         90.011(3)
_cell_oxdiff_angle_beta          102.237(3)
_cell_oxdiff_angle_gamma         89.894(3)
_cell_oxdiff_length_a            20.6294(9)
_cell_oxdiff_length_b            5.22643(17)
_cell_oxdiff_length_c            41.3455(16)
_cell_oxdiff_measurement_reflns_used 5035
_cell_oxdiff_volume              4356.5(3)
_shelx_estimated_absorpt_T_max   0.899
_shelx_estimated_absorpt_T_min   0.872
_exptl_absorpt_coefficient_mu    0.641
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86391
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.129a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            15449
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.104
_diffrn_reflns_theta_min         4.377
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2169
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -72.00  26.00   1.00    5.00    --  -41.51  77.00 -90.00   98
  2  ω   -109.00 -17.00   1.00    5.00    --  -41.51 -38.00   0.00   92
  3  ω    -66.00  30.00   1.00    5.00    --  -41.51  38.00-180.00   96
  4  ω     63.00  93.00   1.00    5.00    --   41.51 178.00  30.00   30
  5  ω     94.00 127.00   1.00    5.00    --   41.51 178.00  30.00   33
  6  ω     94.00 119.00   1.00    5.00    --   41.51 178.00-150.00   25
  7  ω     35.00 132.00   1.00   12.00    --  105.74 -45.00 150.00   97
  8  ω     39.00 111.00   1.00   12.00    --  105.74-125.00  90.00   72
  9  ω    106.00 178.00   1.00   12.00    --  105.74  77.00  90.00   72
 10  ω     97.00 138.00   1.00   12.00    --  105.74 -77.00 -90.00   41
 11  ω     62.00 109.00   1.00   12.00    --  105.74-112.00 -10.00   47
 12  ω     37.00 128.00   1.00   12.00    --  105.74 -45.00  30.00   91
 13  ω     40.00  82.00   1.00   12.00    --  105.74 -77.00 -90.00   42
 14  ω    124.00 177.00   1.00   12.00    --  105.74  30.00-120.00   53
 15  ω    120.00 176.00   1.00   12.00    --  105.74  30.00 -30.00   56
 16  ω     81.00 108.00   1.00   12.00    --  105.74  30.00 -30.00   27
 17  ω     82.00 107.00   1.00   12.00    --  105.74 -94.00  60.00   25
 18  ω     48.00  98.00   1.00   12.00    --  105.74-125.00-150.00   50
 19  ω     78.00 164.00   1.00   12.00    --  105.74  30.00  30.00   86
 20  ω     70.00 112.00   1.00   12.00    --  105.74-125.00 -90.00   42
 21  ω     70.00 107.00   1.00   12.00    --  105.74 -94.00 120.00   37
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0584284000
_diffrn_orient_matrix_UB_12      0.0056667000
_diffrn_orient_matrix_UB_13      0.0301803000
_diffrn_orient_matrix_UB_21      -0.0459375000
_diffrn_orient_matrix_UB_22      -0.0991792000
_diffrn_orient_matrix_UB_23      0.0221274000
_diffrn_orient_matrix_UB_31      0.0177587000
_diffrn_orient_matrix_UB_32      -0.2775275000
_diffrn_orient_matrix_UB_33      -0.0072829000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3461
_reflns_number_total             4314
_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       'CrysAlisPro 1.171.43.129a (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.129a 64-bit (release 29-06-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.129a (Rigaku OD, 2024)'
_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, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.153
_refine_diff_density_min         -0.128
_refine_diff_density_rms         0.035
_refine_ls_extinction_coef       0.00030(5)
_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   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         4314
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0441
_refine_ls_restrained_S_all      1.026
_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)+(0.0722P)²+0.9118P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1277
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C14(H14), C5(H5), C12(H12), C9(H9), C11(H11), C2(H2), C27(H27),
 C4(H4), C10(H10), C3(H3), C31(H31), C29(H29), C30(H30), C28(H28), C23(H23),
 C21(H21), C25(H25), C22(H22), C24(H24)
;
_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 0.36748(5) 0.5787(2) 0.35733(3) 0.0447(3) Uani 1 1 d . . . . .
N3 N 0.43730(6) 0.7921(2) 0.40090(3) 0.0480(3) Uani 1 1 d . . . . .
N2 N 0.32459(6) 0.9132(2) 0.38329(3) 0.0479(3) Uani 1 1 d . . . . .
N4 N 0.39375(6) 1.1371(2) 0.42714(3) 0.0511(3) Uani 1 1 d . . . . .
C17 C 0.37706(7) 0.7694(3) 0.38139(3) 0.0433(3) Uani 1 1 d . . . . .
C16 C 0.41584(7) 0.4070(3) 0.35003(3) 0.0442(3) Uani 1 1 d . . . . .
C7 C 0.38594(7) 0.2426(3) 0.32476(3) 0.0442(3) Uani 1 1 d . . . . .
C1 C 0.30622(7) 0.5197(3) 0.33537(3) 0.0462(3) Uani 1 1 d . . . . .
C19 C 0.33545(7) 1.0924(3) 0.40667(3) 0.0460(3) Uani 1 1 d . . . . .
C18 C 0.44286(7) 0.9806(3) 0.42319(3) 0.0469(3) Uani 1 1 d . . . . .
C8 C 0.42473(7) 0.0582(3) 0.31172(3) 0.0469(3) Uani 1 1 d . . . . .
C6 C 0.31644(7) 0.3102(3) 0.31581(3) 0.0460(3) Uani 1 1 d . . . . .
C26 C 0.27863(7) 1.2550(3) 0.41055(4) 0.0488(3) Uani 1 1 d . . . . .
C13 C 0.49413(7) 0.0518(3) 0.32513(4) 0.0497(3) Uani 1 1 d . . . . .
C15 C 0.48436(7) 0.3936(3) 0.36405(4) 0.0523(4) Uani 1 1 d . . . . .
H15 H 0.503645 0.500548 0.381408 0.063 Uiso 1 1 calc R U . . .
C20 C 0.50812(7) 1.0174(3) 0.44607(4) 0.0504(3) Uani 1 1 d . . . . .
C14 C 0.52146(8) 0.2192(3) 0.35139(4) 0.0560(4) Uani 1 1 d . . . . .
H14 H 0.566703 0.209933 0.360411 0.067 Uiso 1 1 calc R U . . .
C5 C 0.26233(7) 0.2122(3) 0.29285(4) 0.0563(4) Uani 1 1 d . . . . .
H5 H 0.267816 0.071719 0.279887 0.068 Uiso 1 1 calc R U . . .
C12 C 0.53460(8) -0.1195(3) 0.31181(4) 0.0597(4) Uani 1 1 d . . . . .
H12 H 0.580098 -0.121346 0.320334 0.072 Uiso 1 1 calc R U . . .
C9 C 0.39900(8) -0.1169(3) 0.28612(4) 0.0565(4) Uani 1 1 d . . . . .
H9 H 0.353618 -0.119791 0.277302 0.068 Uiso 1 1 calc R U . . .
C11 C 0.50815(9) -0.2823(3) 0.28670(4) 0.0647(4) Uani 1 1 d . . . . .
H11 H 0.535415 -0.392814 0.278008 0.078 Uiso 1 1 calc R U . . .
C2 C 0.24417(8) 0.6338(3) 0.33165(4) 0.0603(4) Uani 1 1 d . . . . .
H2 H 0.237783 0.773854 0.344501 0.072 Uiso 1 1 calc R U . . .
C27 C 0.28630(8) 1.4450(3) 0.43428(4) 0.0621(4) Uani 1 1 d . . . . .
H27 H 0.327407 1.469309 0.448360 0.075 Uiso 1 1 calc R U . . .
C4 C 0.20100(8) 0.3248(4) 0.28958(4) 0.0636(4) Uani 1 1 d . . . . .
H4 H 0.165012 0.258626 0.274459 0.076 Uiso 1 1 calc R U . . .
C10 C 0.43953(9) -0.2815(3) 0.27412(4) 0.0644(4) Uani 1 1 d . . . . .
H10 H 0.421311 -0.395008 0.257315 0.077 Uiso 1 1 calc R U . . .
C3 C 0.19224(8) 0.5338(4) 0.30837(4) 0.0665(5) Uani 1 1 d . . . . .
H3 H 0.150574 0.609343 0.305358 0.080 Uiso 1 1 calc R U . . .
C31 C 0.21672(8) 1.2239(4) 0.39003(4) 0.0654(5) Uani 1 1 d . . . . .
H31 H 0.210435 1.097306 0.373869 0.078 Uiso 1 1 calc R U . . .
C29 C 0.17242(9) 1.5656(3) 0.41687(5) 0.0653(4) Uani 1 1 d . . . . .
H29 H 0.136917 1.669112 0.419041 0.078 Uiso 1 1 calc R U . . .
C30 C 0.16414(9) 1.3788(4) 0.39328(5) 0.0738(5) Uani 1 1 d . . . . .
H30 H 0.122864 1.355527 0.379312 0.089 Uiso 1 1 calc R U . . .
C28 C 0.23338(9) 1.5997(4) 0.43734(5) 0.0703(5) Uani 1 1 d . . . . .
H28 H 0.239264 1.727385 0.453367 0.084 Uiso 1 1 calc R U . . .
C23 C 0.62741(9) 1.0786(4) 0.49102(5) 0.0722(5) Uani 1 1 d . . . . .
H23 H 0.667307 1.097225 0.506283 0.087 Uiso 1 1 calc R U . . .
C21 C 0.55985(9) 0.8578(4) 0.44644(6) 0.0843(6) Uani 1 1 d . . . . .
H21 H 0.555358 0.724061 0.431295 0.101 Uiso 1 1 calc R U . . .
C25 C 0.51746(10) 1.2135(5) 0.46838(6) 0.0981(8) Uani 1 1 d . . . . .
H25 H 0.483273 1.329474 0.468378 0.118 Uiso 1 1 calc R U . . .
C22 C 0.61935(10) 0.8895(5) 0.46892(6) 0.0988(8) Uani 1 1 d . . . . .
H22 H 0.654192 0.777296 0.468590 0.119 Uiso 1 1 calc R U . . .
C24 C 0.57679(10) 1.2428(5) 0.49096(6) 0.1058(9) Uani 1 1 d . . . . .
H24 H 0.581907 1.376128 0.506185 0.127 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 C17 1.3925(18) . ?
N1 C16 1.4210(18) . ?
N1 C1 1.4248(17) . ?
N3 C17 1.3356(18) . ?
N3 C18 1.3374(19) . ?
N2 C17 1.3339(18) . ?
N2 C19 1.3304(18) . ?
N4 C19 1.3364(18) . ?
N4 C18 1.3385(18) . ?
C16 C7 1.3917(19) . ?
C16 C15 1.4112(19) . ?
C7 C8 1.429(2) . ?
C7 C6 1.4465(19) . ?
C1 C6 1.403(2) . ?
C1 C2 1.391(2) . ?
C19 C26 1.484(2) . ?
C18 C20 1.485(2) . ?
C8 C13 1.422(2) . ?
C8 C9 1.415(2) . ?
C6 C5 1.400(2) . ?
C26 C27 1.381(2) . ?
C26 C31 1.385(2) . ?
C13 C14 1.415(2) . ?
C13 C12 1.413(2) . ?
C15 H15 0.9300 . ?
C15 C14 1.364(2) . ?
C20 C21 1.352(2) . ?
C20 C25 1.365(2) . ?
C14 H14 0.9300 . ?
C5 H5 0.9300 . ?
C5 C4 1.376(2) . ?
C12 H12 0.9300 . ?
C12 C11 1.364(2) . ?
C9 H9 0.9300 . ?
C9 C10 1.364(2) . ?
C11 H11 0.9300 . ?
C11 C10 1.401(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.382(2) . ?
C27 H27 0.9300 . ?
C27 C28 1.386(2) . ?
C4 H4 0.9300 . ?
C4 C3 1.374(3) . ?
C10 H10 0.9300 . ?
C3 H3 0.9300 . ?
C31 H31 0.9300 . ?
C31 C30 1.383(2) . ?
C29 H29 0.9300 . ?
C29 C30 1.365(3) . ?
C29 C28 1.371(2) . ?
C30 H30 0.9300 . ?
C28 H28 0.9300 . ?
C23 H23 0.9300 . ?
C23 C22 1.332(3) . ?
C23 C24 1.351(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.383(3) . ?
C25 H25 0.9300 . ?
C25 C24 1.382(3) . ?
C22 H22 0.9300 . ?
C24 H24 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
C17 N1 C16 127.17(11) . . ?
C17 N1 C1 125.63(12) . . ?
C16 N1 C1 107.20(11) . . ?
C17 N3 C18 114.49(12) . . ?
C19 N2 C17 115.19(12) . . ?
C19 N4 C18 114.75(13) . . ?
N3 C17 N1 117.91(12) . . ?
N2 C17 N1 116.84(12) . . ?
N2 C17 N3 125.25(13) . . ?
C7 C16 N1 109.27(12) . . ?
C7 C16 C15 121.59(13) . . ?
C15 C16 N1 129.13(13) . . ?
C16 C7 C8 120.32(13) . . ?
C16 C7 C6 107.38(12) . . ?
C8 C7 C6 132.24(13) . . ?
C6 C1 N1 108.35(12) . . ?
C2 C1 N1 130.45(14) . . ?
C2 C1 C6 121.20(13) . . ?
N2 C19 N4 125.00(13) . . ?
N2 C19 C26 117.80(13) . . ?
N4 C19 C26 117.20(13) . . ?
N3 C18 N4 125.29(13) . . ?
N3 C18 C20 117.92(13) . . ?
N4 C18 C20 116.78(13) . . ?
C13 C8 C7 117.83(13) . . ?
C9 C8 C7 124.54(14) . . ?
C9 C8 C13 117.62(14) . . ?
C1 C6 C7 107.76(12) . . ?
C5 C6 C7 133.51(14) . . ?
C5 C6 C1 118.73(14) . . ?
C27 C26 C19 120.96(14) . . ?
C27 C26 C31 118.12(14) . . ?
C31 C26 C19 120.91(14) . . ?
C14 C13 C8 119.28(13) . . ?
C12 C13 C8 119.48(14) . . ?
C12 C13 C14 121.23(14) . . ?
C16 C15 H15 121.0 . . ?
C14 C15 C16 118.04(14) . . ?
C14 C15 H15 121.0 . . ?
C21 C20 C18 122.30(15) . . ?
C21 C20 C25 117.21(16) . . ?
C25 C20 C18 120.46(15) . . ?
C13 C14 H14 118.6 . . ?
C15 C14 C13 122.87(14) . . ?
C15 C14 H14 118.6 . . ?
C6 C5 H5 120.2 . . ?
C4 C5 C6 119.64(16) . . ?
C4 C5 H5 120.2 . . ?
C13 C12 H12 119.4 . . ?
C11 C12 C13 121.19(16) . . ?
C11 C12 H12 119.4 . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.23(15) . . ?
C10 C9 H9 119.4 . . ?
C12 C11 H11 120.3 . . ?
C12 C11 C10 119.40(16) . . ?
C10 C11 H11 120.3 . . ?
C1 C2 H2 120.9 . . ?
C3 C2 C1 118.29(16) . . ?
C3 C2 H2 120.9 . . ?
C26 C27 H27 119.6 . . ?
C26 C27 C28 120.70(15) . . ?
C28 C27 H27 119.6 . . ?
C5 C4 H4 119.6 . . ?
C3 C4 C5 120.85(15) . . ?
C3 C4 H4 119.6 . . ?
C9 C10 C11 121.03(16) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C2 C3 H3 119.4 . . ?
C4 C3 C2 121.26(16) . . ?
C4 C3 H3 119.4 . . ?
C26 C31 H31 119.6 . . ?
C30 C31 C26 120.83(17) . . ?
C30 C31 H31 119.6 . . ?
C30 C29 H29 120.2 . . ?
C30 C29 C28 119.59(16) . . ?
C28 C29 H29 120.2 . . ?
C31 C30 H30 119.8 . . ?
C29 C30 C31 120.41(17) . . ?
C29 C30 H30 119.8 . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.34(17) . . ?
C29 C28 H28 119.8 . . ?
C22 C23 H23 120.5 . . ?
C22 C23 C24 119.06(18) . . ?
C24 C23 H23 120.5 . . ?
C20 C21 H21 119.3 . . ?
C20 C21 C22 121.31(18) . . ?
C22 C21 H21 119.3 . . ?
C20 C25 H25 119.4 . . ?
C20 C25 C24 121.20(19) . . ?
C24 C25 H25 119.4 . . ?
C23 C22 C21 120.9(2) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C23 C24 C25 120.3(2) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?

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 C16 C7 C8 177.10(11) . . . . ?
N1 C16 C7 C6 -0.33(15) . . . . ?
N1 C16 C15 C14 -176.24(14) . . . . ?
N1 C1 C6 C7 -2.21(15) . . . . ?
N1 C1 C6 C5 178.11(13) . . . . ?
N1 C1 C2 C3 -179.02(15) . . . . ?
N3 C18 C20 C21 -4.4(2) . . . . ?
N3 C18 C20 C25 177.23(18) . . . . ?
N2 C19 C26 C27 -179.93(14) . . . . ?
N2 C19 C26 C31 -1.2(2) . . . . ?
N4 C19 C26 C27 0.3(2) . . . . ?
N4 C19 C26 C31 179.06(15) . . . . ?
N4 C18 C20 C21 174.15(17) . . . . ?
N4 C18 C20 C25 -4.2(2) . . . . ?
C17 N1 C16 C7 178.79(12) . . . . ?
C17 N1 C16 C15 -2.7(2) . . . . ?
C17 N1 C1 C6 -177.80(12) . . . . ?
C17 N1 C1 C2 2.0(2) . . . . ?
C17 N3 C18 N4 1.0(2) . . . . ?
C17 N3 C18 C20 179.46(12) . . . . ?
C17 N2 C19 N4 1.1(2) . . . . ?
C17 N2 C19 C26 -178.64(12) . . . . ?
C16 N1 C17 N3 -2.6(2) . . . . ?
C16 N1 C17 N2 178.25(12) . . . . ?
C16 N1 C1 C6 2.00(15) . . . . ?
C16 N1 C1 C2 -178.21(16) . . . . ?
C16 C7 C8 C13 -0.7(2) . . . . ?
C16 C7 C8 C9 179.98(13) . . . . ?
C16 C7 C6 C1 1.58(15) . . . . ?
C16 C7 C6 C5 -178.80(16) . . . . ?
C16 C15 C14 C13 -0.4(2) . . . . ?
C7 C16 C15 C14 2.1(2) . . . . ?
C7 C8 C13 C14 2.4(2) . . . . ?
C7 C8 C13 C12 -177.04(13) . . . . ?
C7 C8 C9 C10 177.63(14) . . . . ?
C7 C6 C5 C4 -178.54(15) . . . . ?
C1 N1 C17 N3 177.21(12) . . . . ?
C1 N1 C17 N2 -1.99(19) . . . . ?
C1 N1 C16 C7 -1.01(15) . . . . ?
C1 N1 C16 C15 177.49(14) . . . . ?
C1 C6 C5 C4 1.0(2) . . . . ?
C1 C2 C3 C4 0.9(3) . . . . ?
C19 N2 C17 N1 179.62(12) . . . . ?
C19 N2 C17 N3 0.5(2) . . . . ?
C19 N4 C18 N3 0.3(2) . . . . ?
C19 N4 C18 C20 -178.16(13) . . . . ?
C19 C26 C27 C28 178.66(16) . . . . ?
C19 C26 C31 C30 -178.79(16) . . . . ?
C18 N3 C17 N1 179.43(11) . . . . ?
C18 N3 C17 N2 -1.4(2) . . . . ?
C18 N4 C19 N2 -1.4(2) . . . . ?
C18 N4 C19 C26 178.27(12) . . . . ?
C18 C20 C21 C22 -177.3(2) . . . . ?
C18 C20 C25 C24 176.7(2) . . . . ?
C8 C7 C6 C1 -175.43(14) . . . . ?
C8 C7 C6 C5 4.2(3) . . . . ?
C8 C13 C14 C15 -1.9(2) . . . . ?
C8 C13 C12 C11 -1.2(2) . . . . ?
C8 C9 C10 C11 -0.2(3) . . . . ?
C6 C7 C8 C13 175.96(14) . . . . ?
C6 C7 C8 C9 -3.3(2) . . . . ?
C6 C1 C2 C3 0.7(2) . . . . ?
C6 C5 C4 C3 0.5(3) . . . . ?
C26 C27 C28 C29 0.3(3) . . . . ?
C26 C31 C30 C29 0.0(3) . . . . ?
C13 C8 C9 C10 -1.7(2) . . . . ?
C13 C12 C11 C10 -0.7(3) . . . . ?
C15 C16 C7 C8 -1.5(2) . . . . ?
C15 C16 C7 C6 -178.97(13) . . . . ?
C20 C21 C22 C23 0.2(4) . . . . ?
C20 C25 C24 C23 1.0(4) . . . . ?
C14 C13 C12 C11 179.43(16) . . . . ?
C5 C4 C3 C2 -1.6(3) . . . . ?
C12 C13 C14 C15 177.52(15) . . . . ?
C12 C11 C10 C9 1.4(3) . . . . ?
C9 C8 C13 C14 -178.29(14) . . . . ?
C9 C8 C13 C12 2.3(2) . . . . ?
C2 C1 C6 C7 177.98(14) . . . . ?
C2 C1 C6 C5 -1.7(2) . . . . ?
C27 C26 C31 C30 0.0(3) . . . . ?
C31 C26 C27 C28 -0.1(3) . . . . ?
C30 C29 C28 C27 -0.3(3) . . . . ?
C28 C29 C30 C31 0.2(3) . . . . ?
C21 C20 C25 C24 -1.7(4) . . . . ?
C25 C20 C21 C22 1.1(4) . . . . ?
C22 C23 C24 C25 0.4(4) . . . . ?
C24 C23 C22 C21 -1.0(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.267
_oxdiff_exptl_absorpt_empirical_full_min 0.532
