# 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. 
# 
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data_363-3
_database_code_depnum_ccdc_archive 'CCDC 2361191'
loop_
_audit_author_name
_audit_author_address
'Xin Zhang'
;Kunming University of Science and Technology
China
;
_audit_update_record             
;
2024-06-07 deposited with the CCDC.	2025-06-12 downloaded from the CCDC.
;
_audit_creation_date             2024-06-06
_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         'C24 H18'
_chemical_formula_sum            'C24 H18'
_chemical_formula_weight         306.38
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N S'
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'

_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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   10.3109(6)
_cell_length_b                   17.7703(11)
_cell_length_c                   18.3580(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3363.7(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    5581
_cell_measurement_temperature    142(50)
_cell_measurement_theta_max      73.1590
_cell_measurement_theta_min      4.8220
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.516
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.21673
_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 light colourless'
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_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  0.0518
_diffrn_reflns_av_unetI/netI     0.0535
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            10988
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.344
_diffrn_reflns_theta_min         4.818
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      142(50)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     79.00 170.00   0.50    0.50    --   99.00 126.00  93.00  182
  2  ω    130.00 168.00   0.50    0.50    --   99.00 111.00  11.00   76
  3  ω     27.00  52.00   0.50    0.50    --   99.00 -45.00  90.00   50
  4  ω    -28.00  21.00   0.50    0.30    --   46.12 -15.00  77.00   98
  5  ω     27.00  52.00   0.50    0.50    --   99.00 -45.00   0.00   50
  6  ω     28.00  53.00   0.50    0.50    --   99.00 -45.00-120.00   50
  7  ω     43.00  78.00   0.50    0.30    --   46.12-125.00 -60.00   70
  8  ω     39.00 102.00   0.50    0.50    --   99.00-125.00  30.00  126
  9  ω    -18.00  27.00   0.50    0.30    --  -46.12  19.00 -60.00   90
 10  ω     -7.00  30.00   0.50    0.30    --  -46.12  15.00-112.00   74
 11  ω   -109.00 -34.00   0.50    0.50    --  -99.00 125.00-120.00  150
 12  ω   -172.00 -89.00   0.50    0.50    --  -99.00 -15.00  77.00  166
;
_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      0.1197196000
_diffrn_orient_matrix_UB_12      0.0484691000
_diffrn_orient_matrix_UB_13      0.0178745000
_diffrn_orient_matrix_UB_21      -0.0842922000
_diffrn_orient_matrix_UB_22      0.0714096000
_diffrn_orient_matrix_UB_23      -0.0041963000
_diffrn_orient_matrix_UB_31      -0.0302489000
_diffrn_orient_matrix_UB_32      -0.0069731000
_diffrn_orient_matrix_UB_33      0.0819332000
_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                2560
_reflns_number_total             3185
_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 1.171.43.92a (Rigaku OD, 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 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.222
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       0.0015(3)
_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   1.127
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3185
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0562
_refine_ls_restrained_S_all      1.127
_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)+(0.0851P)²+1.3343P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1621
_refine_ls_wR_factor_ref         0.1777
_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), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22),
  C23(H23), C24(H24)
;
_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
C1 C 0.7829(2) 0.54427(11) 0.51196(10) 0.0295(5) Uani 1 1 d . . . . .
C2 C 0.8326(2) 0.47145(11) 0.50706(11) 0.0312(5) Uani 1 1 d . . . . .
H2 H 0.904750 0.461718 0.476274 0.037 Uiso 1 1 calc R U . . .
C3 C 0.7779(2) 0.41321(12) 0.54661(10) 0.0315(5) Uani 1 1 d . . . . .
H3 H 0.814504 0.364281 0.543144 0.038 Uiso 1 1 calc R U . . .
C4 C 0.66980(19) 0.42463(11) 0.59170(10) 0.0285(5) Uani 1 1 d . . . . .
C5 C 0.6187(2) 0.49763(11) 0.59779(10) 0.0297(5) Uani 1 1 d . . . . .
C6 C 0.6762(2) 0.55598(12) 0.55780(11) 0.0312(5) Uani 1 1 d . . . . .
H6 H 0.641480 0.605314 0.561955 0.037 Uiso 1 1 calc R U . . .
C7 C 0.83942(19) 0.60768(11) 0.46964(10) 0.0290(5) Uani 1 1 d . . . . .
C8 C 0.8570(2) 0.67850(12) 0.50095(11) 0.0381(5) Uani 1 1 d . . . . .
H8 H 0.832079 0.686673 0.550137 0.046 Uiso 1 1 calc R U . . .
C9 C 0.9103(3) 0.73703(13) 0.46110(12) 0.0424(6) Uani 1 1 d . . . . .
H9 H 0.921453 0.784923 0.483216 0.051 Uiso 1 1 calc R U . . .
C10 C 0.9474(2) 0.72643(12) 0.38954(12) 0.0363(5) Uani 1 1 d . . . . .
H10 H 0.983894 0.766770 0.362466 0.044 Uiso 1 1 calc R U . . .
C11 C 0.9308(2) 0.65638(12) 0.35755(11) 0.0340(5) Uani 1 1 d . . . . .
H11 H 0.956079 0.648630 0.308354 0.041 Uiso 1 1 calc R U . . .
C12 C 0.8773(2) 0.59743(12) 0.39737(11) 0.0326(5) Uani 1 1 d . . . . .
H12 H 0.866512 0.549607 0.375058 0.039 Uiso 1 1 calc R U . . .
C13 C 0.5072(2) 0.51679(11) 0.64606(11) 0.0302(5) Uani 1 1 d . . . . .
C14 C 0.5029(2) 0.49383(12) 0.71893(11) 0.0340(5) Uani 1 1 d . . . . .
H14 H 0.570478 0.463197 0.737793 0.041 Uiso 1 1 calc R U . . .
C15 C 0.4013(2) 0.51509(13) 0.76411(12) 0.0393(5) Uani 1 1 d . . . . .
H15 H 0.399538 0.498860 0.813406 0.047 Uiso 1 1 calc R U . . .
C16 C 0.3026(2) 0.55998(12) 0.73717(13) 0.0395(5) Uani 1 1 d . . . . .
H16 H 0.233332 0.574865 0.768091 0.047 Uiso 1 1 calc R U . . .
C17 C 0.3049(2) 0.58316(12) 0.66528(12) 0.0376(5) Uani 1 1 d . . . . .
H17 H 0.236999 0.613852 0.646769 0.045 Uiso 1 1 calc R U . . .
C18 C 0.4065(2) 0.56152(11) 0.62009(11) 0.0336(5) Uani 1 1 d . . . . .
H18 H 0.407118 0.577510 0.570710 0.040 Uiso 1 1 calc R U . . .
C19 C 0.6124(2) 0.35774(11) 0.62885(11) 0.0316(5) Uani 1 1 d . . . . .
C20 C 0.4804(2) 0.34102(12) 0.62368(12) 0.0349(5) Uani 1 1 d . . . . .
H20 H 0.424163 0.374450 0.598507 0.042 Uiso 1 1 calc R U . . .
C21 C 0.4303(2) 0.27591(13) 0.65500(13) 0.0413(6) Uani 1 1 d . . . . .
H21 H 0.340557 0.264804 0.650504 0.050 Uiso 1 1 calc R U . . .
C22 C 0.5110(3) 0.22723(12) 0.69272(12) 0.0418(6) Uani 1 1 d . . . . .
H22 H 0.476627 0.182847 0.714171 0.050 Uiso 1 1 calc R U . . .
C23 C 0.6417(2) 0.24353(12) 0.69902(12) 0.0385(5) Uani 1 1 d . . . . .
H23 H 0.697190 0.210436 0.725124 0.046 Uiso 1 1 calc R U . . .
C24 C 0.6921(2) 0.30824(12) 0.66722(11) 0.0337(5) Uani 1 1 d . . . . .
H24 H 0.782033 0.318898 0.671690 0.040 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
C1 C2 1.395(3) . ?
C1 C6 1.400(3) . ?
C1 C7 1.488(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.384(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.403(3) . ?
C4 C5 1.405(3) . ?
C4 C19 1.493(3) . ?
C5 C6 1.402(3) . ?
C5 C13 1.491(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.395(3) . ?
C7 C12 1.395(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.385(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.381(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.391(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.399(3) . ?
C13 C18 1.393(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.388(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.384(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.383(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.391(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.396(3) . ?
C19 C24 1.395(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.391(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.385(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.384(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.390(3) . ?
C24 H24 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
C2 C1 C6 117.73(18) . . ?
C2 C1 C7 121.65(19) . . ?
C6 C1 C7 120.61(18) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.7(2) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 119.2 . . ?
C2 C3 C4 121.67(19) . . ?
C4 C3 H3 119.2 . . ?
C3 C4 C5 118.59(18) . . ?
C3 C4 C19 118.00(18) . . ?
C5 C4 C19 123.38(18) . . ?
C4 C5 C13 123.20(18) . . ?
C6 C5 C4 118.87(19) . . ?
C6 C5 C13 117.92(18) . . ?
C1 C6 C5 122.47(19) . . ?
C1 C6 H6 118.8 . . ?
C5 C6 H6 118.8 . . ?
C8 C7 C1 121.25(18) . . ?
C12 C7 C1 120.52(18) . . ?
C12 C7 C8 118.23(19) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.74(19) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.7(2) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 120.3 . . ?
C9 C10 C11 119.4(2) . . ?
C11 C10 H10 120.3 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.14(19) . . ?
C12 C11 H11 119.9 . . ?
C7 C12 H12 119.6 . . ?
C11 C12 C7 120.83(19) . . ?
C11 C12 H12 119.6 . . ?
C14 C13 C5 121.78(19) . . ?
C18 C13 C5 120.14(18) . . ?
C18 C13 C14 118.01(19) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 C13 121.1(2) . . ?
C15 C14 H14 119.5 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.9(2) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0(2) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0(2) . . ?
C18 C17 H17 120.0 . . ?
C13 C18 H18 119.5 . . ?
C17 C18 C13 121.05(19) . . ?
C17 C18 H18 119.5 . . ?
C20 C19 C4 121.67(18) . . ?
C24 C19 C4 119.94(19) . . ?
C24 C19 C20 118.33(19) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 C19 120.7(2) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.2(2) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.7(2) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 H23 119.9 . . ?
C22 C23 C24 120.1(2) . . ?
C24 C23 H23 119.9 . . ?
C19 C24 H24 119.6 . . ?
C23 C24 C19 120.9(2) . . ?
C23 C24 H24 119.6 . . ?

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
C1 C2 C3 C4 1.2(3) . . . . ?
C1 C7 C8 C9 179.7(2) . . . . ?
C1 C7 C12 C11 -179.71(19) . . . . ?
C2 C1 C6 C5 -0.4(3) . . . . ?
C2 C1 C7 C8 -138.3(2) . . . . ?
C2 C1 C7 C12 41.2(3) . . . . ?
C2 C3 C4 C5 -1.6(3) . . . . ?
C2 C3 C4 C19 176.40(18) . . . . ?
C3 C4 C5 C6 1.0(3) . . . . ?
C3 C4 C5 C13 -177.74(18) . . . . ?
C3 C4 C19 C20 -127.5(2) . . . . ?
C3 C4 C19 C24 49.6(3) . . . . ?
C4 C5 C6 C1 0.0(3) . . . . ?
C4 C5 C13 C14 48.7(3) . . . . ?
C4 C5 C13 C18 -134.2(2) . . . . ?
C4 C19 C20 C21 176.03(19) . . . . ?
C4 C19 C24 C23 -176.63(19) . . . . ?
C5 C4 C19 C20 50.4(3) . . . . ?
C5 C4 C19 C24 -132.5(2) . . . . ?
C5 C13 C14 C15 176.97(19) . . . . ?
C5 C13 C18 C17 -176.76(19) . . . . ?
C6 C1 C2 C3 -0.2(3) . . . . ?
C6 C1 C7 C8 42.3(3) . . . . ?
C6 C1 C7 C12 -138.2(2) . . . . ?
C6 C5 C13 C14 -130.0(2) . . . . ?
C6 C5 C13 C18 47.0(3) . . . . ?
C7 C1 C2 C3 -179.59(18) . . . . ?
C7 C1 C6 C5 179.01(18) . . . . ?
C7 C8 C9 C10 -0.1(4) . . . . ?
C8 C7 C12 C11 -0.2(3) . . . . ?
C8 C9 C10 C11 0.0(4) . . . . ?
C9 C10 C11 C12 0.0(3) . . . . ?
C10 C11 C12 C7 0.1(3) . . . . ?
C12 C7 C8 C9 0.2(3) . . . . ?
C13 C5 C6 C1 178.77(18) . . . . ?
C13 C14 C15 C16 -0.3(3) . . . . ?
C14 C13 C18 C17 0.4(3) . . . . ?
C14 C15 C16 C17 0.4(3) . . . . ?
C15 C16 C17 C18 -0.2(3) . . . . ?
C16 C17 C18 C13 -0.2(3) . . . . ?
C18 C13 C14 C15 -0.1(3) . . . . ?
C19 C4 C5 C6 -176.89(18) . . . . ?
C19 C4 C5 C13 4.4(3) . . . . ?
C19 C20 C21 C22 0.9(3) . . . . ?
C20 C19 C24 C23 0.5(3) . . . . ?
C20 C21 C22 C23 -0.1(3) . . . . ?
C21 C22 C23 C24 -0.4(3) . . . . ?
C22 C23 C24 C19 0.2(3) . . . . ?
C24 C19 C20 C21 -1.1(3) . . . . ?

_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 3.702
_oxdiff_exptl_absorpt_empirical_full_min 0.428
