# Supplementary Information (SI) for ChemComm.
# 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_yzq_1
_audit_block_doi                 10.5517/ccdc.csd.cc2qfj1r
_database_code_depnum_ccdc_archive 'CCDC 2515434'
loop_
_audit_author_name
_audit_author_address
A
;China Three Gorges University
China
;
_audit_update_record             
;
2025-12-12 deposited with the CCDC.	2026-04-28 downloaded from the CCDC.
;
_audit_creation_date             2025-06-08
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H25 N'
_chemical_formula_sum            'C32 H25 N'
_chemical_formula_weight         423.53
_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'

_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                   10.2035(6)
_cell_length_b                   10.3335(8)
_cell_length_c                   11.6404(8)
_cell_angle_alpha                94.054(6)
_cell_angle_beta                 105.675(5)
_cell_angle_gamma                95.557(5)
_cell_volume                     1170.12(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5666
_cell_measurement_temperature    149.95(10)
_cell_measurement_theta_max      74.0630
_cell_measurement_theta_min      3.9950
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.524
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64500
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.143a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             448
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.928
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11437
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.928
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.770
_diffrn_reflns_theta_min         3.965
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.95(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     95.00 130.00   0.50    0.10    --  107.57  15.00 120.00   70
  2  ω    111.00 136.00   0.50    0.10    --  107.57  45.00  90.00   50
  3  ω    144.00 172.00   0.50    0.10    --  107.57  45.00  90.00   56
  4  ω     94.00 125.00   0.50    0.10    --  107.57  15.00  30.00   62
  5  ω     93.00 124.00   0.50    0.10    --  107.57  15.00  60.00   62
  6  ω     31.00  63.00   0.50    0.10    --   42.49  19.00  60.00   64
  7  ω     70.00 122.00   0.50    0.10    --   42.49  19.00  60.00  104
  8  ω     99.00 124.00   0.50    0.10    --  107.57 139.00  -5.00   50
  9  ω    104.00 129.00   0.50    0.10    --  107.57 131.00 179.00   50
 10  ω     41.00  76.00   0.50    0.10    --  107.57 -77.00 120.00   70
 11  ω     41.00  72.00   0.50    0.10    --  107.57 -77.00  90.00   62
 12  ω    -35.00  20.00   0.50    0.10    --   42.49 -38.00 -60.00  110
 13  ω    -31.00  15.00   0.50    0.10    --   42.49 -38.00-180.00   92
 14  ω     34.00  61.00   0.50    0.10    --  107.57 -77.00 -60.00   54
 15  ω     49.00  98.00   0.50    0.10    --   42.49-139.00 -65.00   98
 16  ω     47.00  72.00   0.50    0.10    --  107.57-139.00 -65.00   50
 17  ω     34.00  91.00   0.50    0.10    --  107.57 -95.00 -30.00  114
 18  ω     23.00  91.00   0.50    0.10    --   42.49-131.00 109.00  136
 19  ω     69.00  94.00   0.50    0.10    --  107.57-131.00 109.00   50
 20  ω     35.00  62.00   0.50    0.10    --  107.57 -95.00  90.00   54
 21  ω     65.00  92.00   0.50    0.10    --  107.57 -95.00  90.00   54
 22  ω     67.00  92.00   0.50    0.10    --  107.57 -95.00  60.00   50
 23  ω     75.00 100.00   0.50    0.10    --  107.57-126.00   0.00   50
 24  ω     57.00  82.00   0.50    0.10    --  107.57 -95.00-180.00   50
 25  ω    -10.00  16.00   0.50    0.10    --  -42.49  38.00-180.00   52
 26  ω    -11.00  16.00   0.50    0.10    --  -42.49  38.00-150.00   54
 27  ω     -9.00  21.00   0.50    0.10    --  -42.49  38.00 -90.00   60
 28  ω    -14.00  35.00   0.50    0.10    --  -42.49  38.00 -30.00   98
 29  ω    -14.00  31.00   0.50    0.10    --  -42.49  38.00 120.00   90
 30  ω    -70.00 -44.00   0.50    0.10    --  -42.49 139.00  -5.00   52
 31  ω    -90.00 -31.00   0.50    0.10    -- -103.00 126.00-120.00  118
 32  ω   -100.00 -73.00   0.50    0.10    -- -103.00 126.00 -60.00   54
 33  ω    -67.00 -32.00   0.50    0.10    -- -103.00 126.00 -60.00   70
 34  ω   -106.00 -75.00   0.50    0.10    -- -103.00 139.00  -5.00   62
 35  ω    -58.00 -31.00   0.50    0.10    -- -103.00 106.00-154.36   54
 36  ω    -96.00 -71.00   0.50    0.10    -- -103.00 114.00 103.46   50
 37  ω    -94.00 -50.00   0.50    0.10    -- -103.00 115.00 127.17   88
 38  ω    -99.00 -66.00   0.50    0.10    -- -103.00 131.00 179.00   66
 39  ω    -69.00 -15.00   0.50    0.10    --  -42.49 131.00 179.00  108
 40  ω    -92.00 -62.00   0.50    0.10    -- -103.00 104.00  14.55   60
 41  ω    -92.00 -66.00   0.50    0.10    -- -103.00 101.00 -59.08   52
 42  ω    -93.00 -34.00   0.50    0.10    -- -103.00 104.00-121.01  118
 43  ω    -93.00 -67.00   0.50    0.10    -- -103.00 106.00-154.36   52
 44  ω    -66.00 -36.00   0.50    0.10    -- -103.00  77.00-180.00   60
 45  ω    -64.00 -30.00   0.50    0.10    -- -103.00  77.00-150.00   68
 46  ω    -66.00 -39.00   0.50    0.10    -- -103.00  77.00   0.00   54
 47  ω    -64.00 -30.00   0.50    0.10    -- -103.00  77.00  30.00   68
 48  ω   -138.00 -95.00   0.50    0.10    -- -103.00 -30.00-120.00   86
 49  ω   -132.00 -88.00   0.50    0.10    -- -103.00 -15.00-180.00   88
 50  ω   -133.00-106.00   0.50    0.10    -- -103.00 -15.00 -60.00   54
 51  ω   -133.00 -91.00   0.50    0.10    -- -103.00 -15.00-120.00   84
 52  ω   -130.00 -88.00   0.50    0.10    -- -103.00 -15.00  90.00   84
 53  ω   -121.00 -88.00   0.50    0.10    -- -103.00 -15.00 120.00   66
 54  ω   -129.00 -88.00   0.50    0.10    -- -103.00 -15.00 150.00   82
 55  ω   -149.00-124.00   0.50    0.10    -- -103.00-131.00 109.00   50
 56  ω   -137.00 -82.00   0.50    0.10    -- -103.00-139.00 -65.00  110
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0012083000
_diffrn_orient_matrix_UB_12      -0.0691468000
_diffrn_orient_matrix_UB_13      0.1127646000
_diffrn_orient_matrix_UB_21      -0.0714987000
_diffrn_orient_matrix_UB_22      -0.1262034000
_diffrn_orient_matrix_UB_23      -0.0797491000
_diffrn_orient_matrix_UB_31      0.1408599000
_diffrn_orient_matrix_UB_32      -0.0442684000
_diffrn_orient_matrix_UB_33      0.0037233000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3721
_reflns_number_total             4464
_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 1.171.43.143a (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.143a 64-bit (release 25-10-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.288
_refine_diff_density_min         -0.241
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4464
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0659
_refine_ls_restrained_S_all      1.047
_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)+(0.1116P)²+0.3426P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1775
_refine_ls_wR_factor_ref         0.1856
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C17(H17)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23),
  C24(H24), C27(H27), C28(H28), C29(H29), C30(H30)
2.c Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C)
;
_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
N1 N 0.15649(16) 0.71872(17) 0.69930(16) 0.0464(4) Uani 1 1 d . . . . .
C1 C 0.64876(18) 0.72670(19) 0.46208(17) 0.0386(4) Uani 1 1 d . . . . .
C2 C 0.6588(2) 0.85826(19) 0.44049(18) 0.0434(5) Uani 1 1 d . . . . .
H2 H 0.660871 0.923772 0.502695 0.052 Uiso 1 1 calc R U . . .
C3 C 0.6656(2) 0.8943(2) 0.33012(19) 0.0473(5) Uani 1 1 d . . . . .
H3 H 0.672327 0.984074 0.317063 0.057 Uiso 1 1 calc R U . . .
C4 C 0.6628(2) 0.8002(2) 0.23822(19) 0.0482(5) Uani 1 1 d . . . . .
H4 H 0.664020 0.824671 0.161343 0.058 Uiso 1 1 calc R U . . .
C5 C 0.6582(2) 0.6702(2) 0.25994(19) 0.0481(5) Uani 1 1 d . . . . .
H5 H 0.659118 0.605329 0.198186 0.058 Uiso 1 1 calc R U . . .
C6 C 0.6522(2) 0.6336(2) 0.37044(18) 0.0423(5) Uani 1 1 d . . . . .
H6 H 0.650461 0.543987 0.384218 0.051 Uiso 1 1 calc R U . . .
C7 C 0.62810(19) 0.68435(18) 0.57617(17) 0.0389(4) Uani 1 1 d . . . . .
C8 C 0.68314(19) 0.56724(19) 0.61416(17) 0.0389(4) Uani 1 1 d . . . . .
C9 C 0.73196(19) 0.46765(19) 0.63987(17) 0.0398(4) Uani 1 1 d . . . . .
C10 C 0.78636(19) 0.34728(19) 0.66588(16) 0.0395(4) Uani 1 1 d . . . . .
C11 C 0.7039(2) 0.2413(2) 0.68695(19) 0.0495(5) Uani 1 1 d . . . . .
H11 H 0.612050 0.249885 0.687038 0.059 Uiso 1 1 calc R U . . .
C12 C 0.7550(3) 0.1242(2) 0.7076(2) 0.0639(7) Uani 1 1 d . . . . .
H12 H 0.698012 0.052170 0.721549 0.077 Uiso 1 1 calc R U . . .
C13 C 0.8876(3) 0.1103(3) 0.7083(3) 0.0764(9) Uani 1 1 d . . . . .
H13 H 0.922209 0.028985 0.722423 0.092 Uiso 1 1 calc R U . . .
C14 C 0.9698(3) 0.2141(3) 0.6886(3) 0.0826(9) Uani 1 1 d . . . . .
H14 H 1.061445 0.204459 0.688685 0.099 Uiso 1 1 calc R U . . .
C15 C 0.9210(2) 0.3320(3) 0.6688(2) 0.0597(6) Uani 1 1 d . . . . .
H15 H 0.979715 0.403866 0.656878 0.072 Uiso 1 1 calc R U . . .
C16 C 0.55688(19) 0.74880(19) 0.63896(17) 0.0397(4) Uani 1 1 d . . . . .
H16 H 0.518694 0.823306 0.607101 0.048 Uiso 1 1 calc R U . . .
C17 C 0.53287(18) 0.71293(18) 0.75465(17) 0.0375(4) Uani 1 1 d . . . . .
H17 H 0.558967 0.622924 0.766068 0.045 Uiso 1 1 calc R U . . .
C18 C 0.63098(18) 0.80664(18) 0.85726(17) 0.0373(4) Uani 1 1 d . . . . .
C19 C 0.5961(2) 0.9256(2) 0.89343(19) 0.0448(5) Uani 1 1 d . . . . .
H19 H 0.506513 0.947889 0.859459 0.054 Uiso 1 1 calc R U . . .
C20 C 0.6914(2) 1.0132(2) 0.9794(2) 0.0499(5) Uani 1 1 d . . . . .
H20 H 0.667097 1.095480 1.002675 0.060 Uiso 1 1 calc R U . . .
C21 C 0.8201(2) 0.9810(2) 1.03069(19) 0.0499(5) Uani 1 1 d . . . . .
H21 H 0.885065 1.041031 1.088986 0.060 Uiso 1 1 calc R U . . .
C22 C 0.8551(2) 0.8610(2) 0.9974(2) 0.0525(6) Uani 1 1 d . . . . .
H22 H 0.943839 0.838041 1.033506 0.063 Uiso 1 1 calc R U . . .
C23 C 0.7607(2) 0.7740(2) 0.91098(19) 0.0459(5) Uani 1 1 d . . . . .
H23 H 0.785097 0.691468 0.888500 0.055 Uiso 1 1 calc R U . . .
C24 C 0.2756(2) 0.73680(19) 0.66492(19) 0.0435(5) Uani 1 1 d . . . . .
H24 H 0.281008 0.764226 0.589983 0.052 Uiso 1 1 calc R U . . .
C25 C 0.38481(19) 0.70966(17) 0.75400(17) 0.0380(4) Uani 1 1 d . . . . .
C26 C 0.33065(19) 0.67171(17) 0.84978(17) 0.0381(4) Uani 1 1 d . . . . .
C27 C 0.3890(2) 0.63318(19) 0.96338(18) 0.0432(5) Uani 1 1 d . . . . .
H27 H 0.484773 0.628314 0.990485 0.052 Uiso 1 1 calc R U . . .
C28 C 0.3057(2) 0.6024(2) 1.0355(2) 0.0512(5) Uani 1 1 d . . . . .
H28 H 0.344774 0.575995 1.112636 0.061 Uiso 1 1 calc R U . . .
C29 C 0.1640(2) 0.6093(2) 0.9968(2) 0.0568(6) Uani 1 1 d . . . . .
H29 H 0.109031 0.588359 1.048600 0.068 Uiso 1 1 calc R U . . .
C30 C 0.1034(2) 0.6459(2) 0.8850(2) 0.0524(6) Uani 1 1 d . . . . .
H30 H 0.007326 0.649137 0.858293 0.063 Uiso 1 1 calc R U . . .
C31 C 0.1874(2) 0.67803(19) 0.81268(19) 0.0427(5) Uani 1 1 d . . . . .
C32 C 0.0212(2) 0.7429(3) 0.6294(2) 0.0644(7) Uani 1 1 d . . . . .
H32A H -0.030779 0.660274 0.587621 0.097 Uiso 1 1 calc R U . . .
H32B H 0.030814 0.803732 0.570521 0.097 Uiso 1 1 calc R U . . .
H32C H -0.027477 0.780810 0.682988 0.097 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 C24 1.379(3) . ?
N1 C31 1.377(3) . ?
N1 C32 1.455(3) . ?
C1 C2 1.399(3) . ?
C1 C6 1.395(3) . ?
C1 C7 1.488(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.380(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.383(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.381(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.431(3) . ?
C7 C16 1.348(3) . ?
C8 C9 1.208(3) . ?
C9 C10 1.429(3) . ?
C10 C11 1.393(3) . ?
C10 C15 1.389(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.375(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.372(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.368(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.372(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C16 C17 1.497(3) . ?
C17 H17 1.0000 . ?
C17 C18 1.539(2) . ?
C17 C25 1.506(3) . ?
C18 C19 1.381(3) . ?
C18 C23 1.388(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.394(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.372(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.381(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.389(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C24 C25 1.369(3) . ?
C25 C26 1.434(3) . ?
C26 C27 1.399(3) . ?
C26 C31 1.417(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.378(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.403(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.379(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.388(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?

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
C24 N1 C32 125.8(2) . . ?
C31 N1 C24 108.68(16) . . ?
C31 N1 C32 125.49(19) . . ?
C2 C1 C7 122.04(17) . . ?
C6 C1 C2 117.94(19) . . ?
C6 C1 C7 119.96(18) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 120.95(18) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.4(2) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.4 . . ?
C5 C4 C3 119.1(2) . . ?
C5 C4 H4 120.4 . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.71(19) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 H6 119.6 . . ?
C5 C6 C1 120.76(19) . . ?
C5 C6 H6 119.6 . . ?
C8 C7 C1 116.44(17) . . ?
C16 C7 C1 122.48(18) . . ?
C16 C7 C8 121.03(18) . . ?
C9 C8 C7 176.0(2) . . ?
C8 C9 C10 177.7(2) . . ?
C11 C10 C9 120.30(18) . . ?
C15 C10 C9 121.29(19) . . ?
C15 C10 C11 118.4(2) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.2(2) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.6(2) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.6(2) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C15 120.6(3) . . ?
C15 C14 H14 119.7 . . ?
C10 C15 H15 119.7 . . ?
C14 C15 C10 120.5(2) . . ?
C14 C15 H15 119.7 . . ?
C7 C16 H16 117.2 . . ?
C7 C16 C17 125.55(18) . . ?
C17 C16 H16 117.2 . . ?
C16 C17 H17 107.5 . . ?
C16 C17 C18 108.13(15) . . ?
C16 C17 C25 112.69(16) . . ?
C18 C17 H17 107.5 . . ?
C25 C17 H17 107.5 . . ?
C25 C17 C18 113.28(15) . . ?
C19 C18 C17 121.77(17) . . ?
C19 C18 C23 118.92(17) . . ?
C23 C18 C17 119.24(17) . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C20 120.41(19) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 119.9 . . ?
C21 C20 C19 120.3(2) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 120.1 . . ?
C20 C21 C22 119.84(19) . . ?
C22 C21 H21 120.1 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.0(2) . . ?
C23 C22 H22 120.0 . . ?
C18 C23 C22 120.52(19) . . ?
C18 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
N1 C24 H24 124.8 . . ?
C25 C24 N1 110.42(19) . . ?
C25 C24 H24 124.8 . . ?
C24 C25 C17 128.82(19) . . ?
C24 C25 C26 106.19(17) . . ?
C26 C25 C17 124.96(17) . . ?
C27 C26 C25 133.85(18) . . ?
C27 C26 C31 118.76(19) . . ?
C31 C26 C25 107.39(17) . . ?
C26 C27 H27 120.4 . . ?
C28 C27 C26 119.12(19) . . ?
C28 C27 H27 120.4 . . ?
C27 C28 H28 119.4 . . ?
C27 C28 C29 121.1(2) . . ?
C29 C28 H28 119.4 . . ?
C28 C29 H29 119.5 . . ?
C30 C29 C28 121.1(2) . . ?
C30 C29 H29 119.5 . . ?
C29 C30 H30 121.1 . . ?
C29 C30 C31 117.8(2) . . ?
C31 C30 H30 121.1 . . ?
N1 C31 C26 107.31(18) . . ?
N1 C31 C30 130.64(19) . . ?
C30 C31 C26 122.0(2) . . ?
N1 C32 H32A 109.5 . . ?
N1 C32 H32B 109.5 . . ?
N1 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

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 C24 C25 C17 178.38(17) . . . . ?
N1 C24 C25 C26 0.3(2) . . . . ?
C1 C2 C3 C4 0.0(3) . . . . ?
C1 C7 C16 C17 -179.43(17) . . . . ?
C2 C1 C6 C5 -3.3(3) . . . . ?
C2 C1 C7 C8 -150.75(18) . . . . ?
C2 C1 C7 C16 31.8(3) . . . . ?
C2 C3 C4 C5 -2.4(3) . . . . ?
C3 C4 C5 C6 2.0(3) . . . . ?
C4 C5 C6 C1 0.9(3) . . . . ?
C6 C1 C2 C3 2.9(3) . . . . ?
C6 C1 C7 C8 32.3(3) . . . . ?
C6 C1 C7 C16 -145.14(19) . . . . ?
C7 C1 C2 C3 -174.17(18) . . . . ?
C7 C1 C6 C5 173.80(18) . . . . ?
C7 C16 C17 C18 102.6(2) . . . . ?
C7 C16 C17 C25 -131.43(19) . . . . ?
C8 C7 C16 C17 3.3(3) . . . . ?
C9 C10 C11 C12 177.62(19) . . . . ?
C9 C10 C15 C14 -177.1(2) . . . . ?
C10 C11 C12 C13 0.3(4) . . . . ?
C11 C10 C15 C14 1.8(4) . . . . ?
C11 C12 C13 C14 0.2(4) . . . . ?
C12 C13 C14 C15 0.3(5) . . . . ?
C13 C14 C15 C10 -1.3(4) . . . . ?
C15 C10 C11 C12 -1.3(3) . . . . ?
C16 C17 C18 C19 87.5(2) . . . . ?
C16 C17 C18 C23 -89.2(2) . . . . ?
C16 C17 C25 C24 -1.3(3) . . . . ?
C16 C17 C25 C26 176.49(16) . . . . ?
C17 C18 C19 C20 -174.45(19) . . . . ?
C17 C18 C23 C22 175.0(2) . . . . ?
C17 C25 C26 C27 1.9(3) . . . . ?
C17 C25 C26 C31 -178.21(16) . . . . ?
C18 C17 C25 C24 121.9(2) . . . . ?
C18 C17 C25 C26 -60.3(2) . . . . ?
C18 C19 C20 C21 -1.2(3) . . . . ?
C19 C18 C23 C22 -1.7(3) . . . . ?
C19 C20 C21 C22 -0.3(3) . . . . ?
C20 C21 C22 C23 0.8(4) . . . . ?
C21 C22 C23 C18 0.2(3) . . . . ?
C23 C18 C19 C20 2.2(3) . . . . ?
C24 N1 C31 C26 0.4(2) . . . . ?
C24 N1 C31 C30 -179.2(2) . . . . ?
C24 C25 C26 C27 -179.9(2) . . . . ?
C24 C25 C26 C31 0.0(2) . . . . ?
C25 C17 C18 C19 -38.1(3) . . . . ?
C25 C17 C18 C23 145.19(19) . . . . ?
C25 C26 C27 C28 180.0(2) . . . . ?
C25 C26 C31 N1 -0.3(2) . . . . ?
C25 C26 C31 C30 179.43(18) . . . . ?
C26 C27 C28 C29 -0.1(3) . . . . ?
C27 C26 C31 N1 179.65(16) . . . . ?
C27 C26 C31 C30 -0.7(3) . . . . ?
C27 C28 C29 C30 0.6(4) . . . . ?
C28 C29 C30 C31 -1.1(3) . . . . ?
C29 C30 C31 N1 -179.2(2) . . . . ?
C29 C30 C31 C26 1.2(3) . . . . ?
C31 N1 C24 C25 -0.4(2) . . . . ?
C31 C26 C27 C28 0.1(3) . . . . ?
C32 N1 C24 C25 177.6(2) . . . . ?
C32 N1 C31 C26 -177.6(2) . . . . ?
C32 N1 C31 C30 2.7(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 1.926
_oxdiff_exptl_absorpt_empirical_full_min 0.585
