# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_chongqin
_database_code_depnum_ccdc_archive 'CCDC 2403249'
loop_
_audit_author_name
_audit_author_address
'Jianyong Yuan'
;ChongQing Medical University
China
;
_audit_update_record             
;
2024-11-16 deposited with the CCDC.	2025-04-25 downloaded from the CCDC.
;
_audit_creation_date             2024-04-13
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        
phenyl(4-phenylbenzo[4,5]imidazo[1,2-a]pyrimidin-2-yl)methanonee
_chemical_formula_moiety         'C23 H15 N3 O'
_chemical_formula_sum            'C23 H15 N3 O'
_chemical_formula_weight         349.38
_chemical_melting_point          '218.7-232.7 \%C'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.66990(10)
_cell_length_b                   17.9820(2)
_cell_length_c                   12.15830(10)
_cell_angle_alpha                90
_cell_angle_beta                 93.2930(10)
_cell_angle_gamma                90
_cell_volume                     1674.11(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9247
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      73.1180
_cell_measurement_theta_min      4.3870
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.693
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90085
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.92a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark yellow'
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_unetI/netI     0.0178
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11799
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.178
_diffrn_reflns_theta_min         4.395
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     30.00  68.00   0.50    0.15    --   99.00 -61.00-120.00   76
  2  ω     36.00  73.00   0.50    0.15    --   99.00 -61.00 -60.00   74
  3  ω     35.00  61.00   0.50    0.15    --   99.00 -61.00 -30.00   52
  4  ω     35.00  66.00   0.50    0.15    --   99.00 -61.00 -90.00   62
  5  ω     28.00  53.00   0.50    0.15    --   99.00 -45.00 -90.00   50
  6  ω     36.00  72.00   0.50    0.15    --   99.00 -61.00   0.00   72
  7  ω     27.00  52.00   0.50    0.15    --   99.00 -45.00  60.00   50
  8  ω     36.00  70.00   0.50    0.15    --   99.00 -61.00  90.00   68
  9  ω     26.00  72.00   0.50    0.15    --   99.00 -61.00 120.00   92
 10  ω     27.00  53.00   0.50    0.15    --   99.00 -45.00 150.00   52
 11  ω     28.00  53.00   0.50    0.15    --   99.00 -45.00 120.00   50
 12  ω     27.00  53.00   0.50    0.15    --   99.00 -45.00 -30.00   52
 13  ω     28.00  53.00   0.50    0.15    --   99.00 -45.00-120.00   50
 14  ω     -2.00  31.00   0.50    0.10    --   45.87-103.00  89.00   66
 15  ω     36.00  76.00   0.50    0.10    --   45.87-103.00  89.00   80
 16  ω     38.00 106.00   0.50    0.15    --   99.00-103.00  89.00  136
 17  ω    -28.00  29.00   0.50    0.10    --   45.87 -19.00 150.00  114
 18  ω    -27.00  -2.00   0.50    0.10    --   45.87 -37.00 -30.00   50
 19  ω      6.00  43.00   0.50    0.10    --   45.87 -37.00 -30.00   74
 20  ω    110.00 135.00   0.50    0.15    --   99.00 103.00-167.00   50
 21  ω    -22.00  27.00   0.50    0.10    --  -45.87  19.00  30.00   98
 22  ω    -24.00  24.00   0.50    0.10    --  -45.87  19.00 -90.00   96
 23  ω    -68.00 -40.00   0.50    0.15    --  -99.00  61.00 150.00   56
 24  ω    -61.00 -35.00   0.50    0.15    --  -99.00  61.00-180.00   52
 25  ω   -107.00 -66.00   0.50    0.15    --  -99.00 103.00-167.00   82
 26  ω   -104.00 -78.00   0.50    0.15    --  -99.00 125.00-150.00   52
 27  ω    -62.00 -29.00   0.50    0.15    --  -99.00 125.00-150.00   66
 28  ω    -38.00  -3.00   0.50    0.10    --  -45.87 103.00-167.00   70
 29  ω   -170.00 -86.00   0.50    0.15    --  -99.00-103.00  89.00  168
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0288112000
_diffrn_orient_matrix_UB_12      0.0637740000
_diffrn_orient_matrix_UB_13      -0.0817520000
_diffrn_orient_matrix_UB_21      -0.0524046000
_diffrn_orient_matrix_UB_22      -0.0520722000
_diffrn_orient_matrix_UB_23      -0.0969047000
_diffrn_orient_matrix_UB_31      -0.1920298000
_diffrn_orient_matrix_UB_32      0.0237036000
_diffrn_orient_matrix_UB_33      0.0065555000
_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                3049
_reflns_number_total             3264
_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 1.171.43.92a (Rigaku OD, 2023)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.92a 64-bit (release 05-10-2023))'
_computing_data_reduction        'CrysAlisPro 1.171.43.92a (Rigaku OD, 2023)'
_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 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.271
_refine_diff_density_min         -0.178
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       0.0037(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3264
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0336
_refine_ls_restrained_S_all      1.043
_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)+(0.0364P)²+0.6798P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0818
_refine_ls_wR_factor_ref         0.0832
_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:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C20(H20), C21(H21), C22(H22), C23(H23)
;
_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
O1 O 0.20856(11) 0.46772(4) 0.81535(7) 0.0240(2) Uani 1 1 d . . . . .
N1 N 0.18279(12) 0.55349(5) 0.55616(8) 0.0187(2) Uani 1 1 d . . . . .
N2 N 0.17924(13) 0.58181(5) 0.36508(8) 0.0203(2) Uani 1 1 d . . . . .
N3 N 0.27654(12) 0.46694(5) 0.41915(7) 0.0167(2) Uani 1 1 d . . . . .
C1 C 0.34623(14) 0.33517(6) 0.45937(9) 0.0174(2) Uani 1 1 d . . . . .
C2 C 0.49364(15) 0.29704(6) 0.50129(9) 0.0192(2) Uani 1 1 d . . . . .
H2 H 0.573305 0.320308 0.553205 0.023 Uiso 1 1 calc R U . . .
C3 C 0.52331(15) 0.22460(6) 0.46652(10) 0.0213(2) Uani 1 1 d . . . . .
H3 H 0.624423 0.198633 0.494166 0.026 Uiso 1 1 calc R U . . .
C4 C 0.40613(15) 0.19007(6) 0.39173(9) 0.0204(2) Uani 1 1 d . . . . .
H4 H 0.427430 0.140728 0.368020 0.024 Uiso 1 1 calc R U . . .
C5 C 0.25769(15) 0.22772(6) 0.35158(9) 0.0203(2) Uani 1 1 d . . . . .
H5 H 0.176808 0.203849 0.301075 0.024 Uiso 1 1 calc R U . . .
C6 C 0.22726(15) 0.29994(6) 0.38496(9) 0.0197(2) Uani 1 1 d . . . . .
H6 H 0.125636 0.325569 0.357350 0.024 Uiso 1 1 calc R U . . .
C7 C 0.30881(14) 0.41166(6) 0.49667(9) 0.0173(2) Uani 1 1 d . . . . .
C8 C 0.29116(14) 0.43057(6) 0.60393(9) 0.0189(2) Uani 1 1 d . . . . .
H8 H 0.320359 0.395831 0.660906 0.023 Uiso 1 1 calc R U . . .
C9 C 0.22887(14) 0.50249(6) 0.63030(9) 0.0183(2) Uani 1 1 d . . . . .
C10 C 0.20008(14) 0.51920(6) 0.74994(9) 0.0184(2) Uani 1 1 d . . . . .
C11 C 0.15659(14) 0.59607(6) 0.78634(9) 0.0177(2) Uani 1 1 d . . . . .
C12 C 0.05199(14) 0.60187(6) 0.87639(9) 0.0205(2) Uani 1 1 d . . . . .
H12 H 0.010208 0.558111 0.909862 0.025 Uiso 1 1 calc R U . . .
C13 C 0.00883(15) 0.67102(7) 0.91717(10) 0.0237(3) Uani 1 1 d . . . . .
H13 H -0.065870 0.674485 0.976634 0.028 Uiso 1 1 calc R U . . .
C14 C 0.07424(15) 0.73519(7) 0.87152(10) 0.0227(3) Uani 1 1 d . . . . .
H14 H 0.046198 0.782531 0.900369 0.027 Uiso 1 1 calc R U . . .
C15 C 0.18131(15) 0.72982(6) 0.78314(9) 0.0213(2) Uani 1 1 d . . . . .
H15 H 0.228220 0.773645 0.752720 0.026 Uiso 1 1 calc R U . . .
C16 C 0.22000(14) 0.66093(6) 0.73914(9) 0.0188(2) Uani 1 1 d . . . . .
H16 H 0.289439 0.657827 0.677070 0.023 Uiso 1 1 calc R U . . .
C17 C 0.20833(14) 0.53673(6) 0.44962(9) 0.0181(2) Uani 1 1 d . . . . .
C18 C 0.23373(14) 0.54238(6) 0.27581(9) 0.0190(2) Uani 1 1 d . . . . .
C19 C 0.29689(14) 0.47123(6) 0.30588(9) 0.0174(2) Uani 1 1 d . . . . .
C20 C 0.36972(14) 0.42324(6) 0.23046(9) 0.0198(2) Uani 1 1 d . . . . .
H20 H 0.414123 0.375763 0.251872 0.024 Uiso 1 1 calc R U . . .
C21 C 0.37383(15) 0.44830(7) 0.12352(9) 0.0219(2) Uani 1 1 d . . . . .
H21 H 0.423655 0.417474 0.070172 0.026 Uiso 1 1 calc R U . . .
C22 C 0.30651(15) 0.51810(7) 0.09107(10) 0.0226(3) Uani 1 1 d . . . . .
H22 H 0.310148 0.532958 0.016251 0.027 Uiso 1 1 calc R U . . .
C23 C 0.23538(15) 0.56540(6) 0.16543(10) 0.0218(2) Uani 1 1 d . . . . .
H23 H 0.188745 0.612254 0.142775 0.026 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
O1 C10 1.2197(14) . ?
N1 C9 1.3198(15) . ?
N1 C17 1.3551(14) . ?
N2 C17 1.3179(14) . ?
N2 C18 1.3811(15) . ?
N3 C7 1.3823(14) . ?
N3 C17 1.4171(14) . ?
N3 C19 1.3970(14) . ?
C1 C2 1.3935(16) . ?
C1 C6 1.3991(16) . ?
C1 C7 1.4815(15) . ?
C2 H2 0.9500 . ?
C2 C3 1.3923(16) . ?
C3 H3 0.9500 . ?
C3 C4 1.3879(16) . ?
C4 H4 0.9500 . ?
C4 C5 1.3889(16) . ?
C5 H5 0.9500 . ?
C5 C6 1.3844(16) . ?
C6 H6 0.9500 . ?
C7 C8 1.3619(16) . ?
C8 H8 0.9500 . ?
C8 C9 1.4217(16) . ?
C9 C10 1.5139(15) . ?
C10 C11 1.4949(15) . ?
C11 C12 1.3979(16) . ?
C11 C16 1.3994(16) . ?
C12 H12 0.9500 . ?
C12 C13 1.3858(16) . ?
C13 H13 0.9500 . ?
C13 C14 1.3868(17) . ?
C14 H14 0.9500 . ?
C14 C15 1.3928(17) . ?
C15 H15 0.9500 . ?
C15 C16 1.3881(16) . ?
C16 H16 0.9500 . ?
C18 C19 1.4089(16) . ?
C18 C23 1.4051(16) . ?
C19 C20 1.3987(16) . ?
C20 H20 0.9500 . ?
C20 C21 1.3781(16) . ?
C21 H21 0.9500 . ?
C21 C22 1.4050(17) . ?
C22 H22 0.9500 . ?
C22 C23 1.3767(17) . ?
C23 H23 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
C9 N1 C17 116.78(10) . . ?
C17 N2 C18 104.59(9) . . ?
C7 N3 C17 120.86(9) . . ?
C7 N3 C19 133.32(9) . . ?
C19 N3 C17 105.82(9) . . ?
C2 C1 C6 119.94(10) . . ?
C2 C1 C7 120.81(10) . . ?
C6 C1 C7 119.19(10) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 C1 119.51(10) . . ?
C3 C2 H2 120.2 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.43(11) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 119.94(10) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.19(10) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 119.97(10) . . ?
C5 C6 H6 120.0 . . ?
N3 C7 C1 119.29(9) . . ?
C8 C7 N3 116.71(10) . . ?
C8 C7 C1 123.82(10) . . ?
C7 C8 H8 120.1 . . ?
C7 C8 C9 119.75(10) . . ?
C9 C8 H8 120.1 . . ?
N1 C9 C8 123.94(10) . . ?
N1 C9 C10 118.05(10) . . ?
C8 C9 C10 117.82(10) . . ?
O1 C10 C9 118.07(10) . . ?
O1 C10 C11 120.88(10) . . ?
C11 C10 C9 121.02(9) . . ?
C12 C11 C10 116.66(10) . . ?
C12 C11 C16 119.18(10) . . ?
C16 C11 C10 124.10(10) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 C11 120.45(11) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.27(11) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.60(11) . . ?
C15 C14 H14 120.2 . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.52(11) . . ?
C16 C15 H15 119.7 . . ?
C11 C16 H16 120.0 . . ?
C15 C16 C11 119.92(10) . . ?
C15 C16 H16 120.0 . . ?
N1 C17 N3 121.51(10) . . ?
N2 C17 N1 125.55(10) . . ?
N2 C17 N3 112.92(10) . . ?
N2 C18 C19 112.16(10) . . ?
N2 C18 C23 128.26(11) . . ?
C23 C18 C19 119.57(10) . . ?
N3 C19 C18 104.46(9) . . ?
N3 C19 C20 133.13(10) . . ?
C20 C19 C18 122.31(10) . . ?
C19 C20 H20 121.7 . . ?
C21 C20 C19 116.64(11) . . ?
C21 C20 H20 121.7 . . ?
C20 C21 H21 119.0 . . ?
C20 C21 C22 121.94(11) . . ?
C22 C21 H21 119.0 . . ?
C21 C22 H22 119.3 . . ?
C23 C22 C21 121.37(11) . . ?
C23 C22 H22 119.3 . . ?
C18 C23 H23 121.0 . . ?
C22 C23 C18 118.10(11) . . ?
C22 C23 H23 121.0 . . ?

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
O1 C10 C11 C12 -28.69(15) . . . . ?
O1 C10 C11 C16 148.42(11) . . . . ?
N1 C9 C10 O1 165.40(10) . . . . ?
N1 C9 C10 C11 -12.59(15) . . . . ?
N2 C18 C19 N3 1.08(12) . . . . ?
N2 C18 C19 C20 -175.71(10) . . . . ?
N2 C18 C23 C22 175.85(11) . . . . ?
N3 C7 C8 C9 4.79(16) . . . . ?
N3 C19 C20 C21 -177.04(11) . . . . ?
C1 C2 C3 C4 -0.81(17) . . . . ?
C1 C7 C8 C9 -170.27(10) . . . . ?
C2 C1 C6 C5 -1.14(17) . . . . ?
C2 C1 C7 N3 128.11(11) . . . . ?
C2 C1 C7 C8 -56.94(15) . . . . ?
C2 C3 C4 C5 -0.34(17) . . . . ?
C3 C4 C5 C6 0.76(17) . . . . ?
C4 C5 C6 C1 -0.02(17) . . . . ?
C6 C1 C2 C3 1.54(17) . . . . ?
C6 C1 C7 N3 -54.84(14) . . . . ?
C6 C1 C7 C8 120.10(12) . . . . ?
C7 N3 C17 N1 4.23(16) . . . . ?
C7 N3 C17 N2 -177.55(10) . . . . ?
C7 N3 C19 C18 178.00(11) . . . . ?
C7 N3 C19 C20 -5.7(2) . . . . ?
C7 C1 C2 C3 178.56(10) . . . . ?
C7 C1 C6 C5 -178.20(10) . . . . ?
C7 C8 C9 N1 1.17(17) . . . . ?
C7 C8 C9 C10 176.04(10) . . . . ?
C8 C9 C10 O1 -9.78(15) . . . . ?
C8 C9 C10 C11 172.23(10) . . . . ?
C9 N1 C17 N2 -176.20(11) . . . . ?
C9 N1 C17 N3 1.78(15) . . . . ?
C9 C10 C11 C12 149.24(10) . . . . ?
C9 C10 C11 C16 -33.65(15) . . . . ?
C10 C11 C12 C13 178.47(10) . . . . ?
C10 C11 C16 C15 -175.89(10) . . . . ?
C11 C12 C13 C14 -2.34(17) . . . . ?
C12 C11 C16 C15 1.15(16) . . . . ?
C12 C13 C14 C15 1.09(17) . . . . ?
C13 C14 C15 C16 1.30(17) . . . . ?
C14 C15 C16 C11 -2.41(16) . . . . ?
C16 C11 C12 C13 1.21(17) . . . . ?
C17 N1 C9 C8 -4.46(16) . . . . ?
C17 N1 C9 C10 -179.32(9) . . . . ?
C17 N2 C18 C19 0.36(13) . . . . ?
C17 N2 C18 C23 -178.35(11) . . . . ?
C17 N3 C7 C1 167.96(9) . . . . ?
C17 N3 C7 C8 -7.34(15) . . . . ?
C17 N3 C19 C18 -1.97(11) . . . . ?
C17 N3 C19 C20 174.31(12) . . . . ?
C18 N2 C17 N1 176.43(11) . . . . ?
C18 N2 C17 N3 -1.70(12) . . . . ?
C18 C19 C20 C21 -1.30(16) . . . . ?
C19 N3 C7 C1 -12.01(17) . . . . ?
C19 N3 C7 C8 172.69(11) . . . . ?
C19 N3 C17 N1 -175.80(10) . . . . ?
C19 N3 C17 N2 2.42(12) . . . . ?
C19 C18 C23 C22 -2.78(16) . . . . ?
C19 C20 C21 C22 -0.76(16) . . . . ?
C20 C21 C22 C23 1.02(17) . . . . ?
C21 C22 C23 C18 0.80(17) . . . . ?
C23 C18 C19 N3 179.92(10) . . . . ?
C23 C18 C19 C20 3.12(16) . . . . ?

_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 1.207
_oxdiff_exptl_absorpt_empirical_full_min 0.681
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: ????'
