# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_202206110
_database_code_depnum_ccdc_archive 'CCDC 2183290'
loop_
_audit_author_name
_audit_author_address
'Junwei Huang'
;Huaqiao University
China
;
_audit_update_record             
;
2022-07-01 deposited with the CCDC.	2023-06-26 downloaded from the CCDC.
;
_audit_creation_date             2022-06-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H17 N O2'
_chemical_formula_sum            'C24 H17 N O2'
_chemical_formula_weight         351.38
_chemical_melting_point          ?
_chemical_oxdiff_formula         C30H3O3N1
_chemical_oxdiff_usercomment     r
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                   9.2178(2)
_cell_length_b                   10.5693(4)
_cell_length_c                   18.1416(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.955(2)
_cell_angle_gamma                90
_cell_volume                     1760.85(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1749
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.6590
_cell_measurement_theta_min      4.8390
_shelx_estimated_absorpt_T_max   0.936
_shelx_estimated_absorpt_T_min   0.856
_exptl_absorpt_coefficient_mu    0.670
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91199
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6450
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.079
_diffrn_reflns_theta_max         67.079
_diffrn_reflns_theta_min         4.816
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2312
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -103.00  -5.00   1.00    1.00    --  -33.50 -77.00  60.00   98
  2  ω    -34.00  25.00   1.00    1.00    --   36.47   0.00  30.00   59
  3  ω     58.00  83.00   1.00    1.00    --   36.47 178.00 120.00   25
  4  ω    -19.00  52.00   1.00    1.00    --   36.47 -57.00-180.00   71
  5  ω     63.00 109.00   1.00    1.00    --   36.47 178.00  60.00   46
  6  ω     22.00  66.00   1.00    1.00    --   36.47 -99.00  60.00   44
  7  ω     69.00  95.00   1.00    1.00    --   36.47   0.00  30.00   26
  8  ω     56.00  82.00   1.00    4.50    --  108.00 -94.00-180.00   26
  9  ω     79.00 131.00   1.00    4.50    --  108.00 -30.00 150.00   52
 10  ω    109.00 153.00   1.00    4.50    --  108.00 111.00  30.00   44
 11  ω     38.00 118.00   1.00    4.50    --  108.00 -45.00  90.00   80
 12  ω     85.00 153.00   1.00    4.50    --  108.00  30.00-120.00   68
 13  ω     38.00 107.00   1.00    4.50    --  108.00 -94.00  30.00   69
 14  ω     41.00 106.00   1.00    4.50    --  108.00 -94.00 -60.00   65
 15  ω     39.00  83.00   1.00    4.50    --  108.00 -94.00-120.00   44
 16  ω    101.00 176.00   1.00    4.50    --  108.00 111.00-120.00   75
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0389394000
_diffrn_orient_matrix_UB_12      -0.1396005000
_diffrn_orient_matrix_UB_13      -0.0162284000
_diffrn_orient_matrix_UB_21      0.0557356000
_diffrn_orient_matrix_UB_22      -0.0355051000
_diffrn_orient_matrix_UB_23      0.0798075000
_diffrn_orient_matrix_UB_31      -0.1533569000
_diffrn_orient_matrix_UB_32      0.0224980000
_diffrn_orient_matrix_UB_33      0.0250914000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2402
_reflns_number_total             3137
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.170
_refine_diff_density_min         -0.209
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       0.0022(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         3137
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0479
_refine_ls_restrained_S_all      1.024
_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)+(0.0791P)²+0.1087P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1473
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1A), C2(H2), C3(H3), C4(H4), C10(H10), C11(H11), C12(H12), C13(H13),
 C17(H17), C18(H18), C21(H21), C22(H22), C23(H23), C24(H24)
;
_atom_sites_solution_hydrogens   mixed
_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 -0.01732(15) 0.35417(16) 0.55525(8) 0.0557(4) Uani 1 1 d . . . . .
O2 O 0.00504(14) 0.11236(14) 0.62382(7) 0.0498(4) Uani 1 1 d . . . . .
N1 N -0.17743(17) 0.24197(19) 0.66293(9) 0.0499(4) Uani 1 1 d . . . . .
H1 H -0.224(3) 0.178(3) 0.6824(14) 0.068(8) Uiso 1 1 d . . . . .
C1 C -0.2357(3) 0.3927(2) 0.47971(12) 0.0591(6) Uani 1 1 d . . . . .
H1A H -0.1816 0.4314 0.4451 0.071 Uiso 1 1 calc R . . . .
C2 C -0.3847(3) 0.3827(3) 0.46632(13) 0.0669(7) Uani 1 1 d . . . . .
H2 H -0.4309 0.4143 0.4225 0.080 Uiso 1 1 calc R . . . .
C3 C -0.4652(2) 0.3264(2) 0.51735(14) 0.0643(6) Uani 1 1 d . . . . .
H3 H -0.5657 0.3203 0.5081 0.077 Uiso 1 1 calc R . . . .
C4 C -0.3972(2) 0.2784(2) 0.58290(12) 0.0531(5) Uani 1 1 d . . . . .
H4 H -0.4524 0.2410 0.6175 0.064 Uiso 1 1 calc R . . . .
C5 C -0.2473(2) 0.28643(18) 0.59650(11) 0.0443(4) Uani 1 1 d . . . . .
C6 C -0.1665(2) 0.34488(19) 0.54482(11) 0.0468(5) Uani 1 1 d . . . . .
C7 C 0.0408(2) 0.3398(2) 0.63029(11) 0.0477(5) Uani 1 1 d . . . . .
H7A H 0.0202 0.4154 0.6579 0.057 Uiso 1 1 calc R . . . .
H7B H 0.1457 0.3304 0.6319 0.057 Uiso 1 1 calc R . . . .
C8 C -0.02399(19) 0.22489(19) 0.66675(10) 0.0437(4) Uani 1 1 d . . . . .
C9 C 0.03834(19) 0.20783(19) 0.74600(10) 0.0430(4) Uani 1 1 d . . . . .
C10 C -0.0281(2) 0.2619(2) 0.80395(12) 0.0511(5) Uani 1 1 d . . . . .
H10 H -0.1098 0.3126 0.7940 0.061 Uiso 1 1 calc R . . . .
C11 C 0.0259(2) 0.2413(2) 0.87645(11) 0.0536(5) Uani 1 1 d . . . . .
H11 H -0.0163 0.2810 0.9150 0.064 Uiso 1 1 calc R . . . .
C12 C 0.1431(2) 0.1612(2) 0.89092(11) 0.0519(5) Uani 1 1 d . . . . .
H12 H 0.1766 0.1433 0.9396 0.062 Uiso 1 1 calc R . . . .
C13 C 0.2112(2) 0.1072(2) 0.83360(11) 0.0468(5) Uani 1 1 d . . . . .
H13 H 0.2888 0.0521 0.8442 0.056 Uiso 1 1 calc R . . . .
C14 C 0.16460(19) 0.13466(18) 0.75964(10) 0.0418(4) Uani 1 1 d . . . . .
C15 C 0.2340(2) 0.08314(18) 0.69539(10) 0.0429(4) Uani 1 1 d . . . . .
C16 C 0.1463(2) 0.07061(19) 0.62991(11) 0.0453(4) Uani 1 1 d . . . . .
C17 C 0.1929(2) 0.0085(2) 0.56792(12) 0.0559(5) Uani 1 1 d . . . . .
H17 H 0.1308 0.0016 0.5249 0.067 Uiso 1 1 calc R . . . .
C18 C 0.3291(3) -0.0417(2) 0.57086(13) 0.0603(6) Uani 1 1 d . . . . .
H18 H 0.3578 -0.0867 0.5305 0.072 Uiso 1 1 calc R . . . .
C19 C 0.4279(2) -0.0263(2) 0.63451(12) 0.0528(5) Uani 1 1 d . . . . .
C20 C 0.3827(2) 0.04139(19) 0.69646(11) 0.0456(4) Uani 1 1 d . . . . .
C21 C 0.4909(2) 0.0688(2) 0.75484(12) 0.0534(5) Uani 1 1 d . . . . .
H21 H 0.4670 0.1189 0.7942 0.064 Uiso 1 1 calc R . . . .
C22 C 0.6295(2) 0.0229(3) 0.75426(13) 0.0608(6) Uani 1 1 d . . . . .
H22 H 0.6979 0.0412 0.7936 0.073 Uiso 1 1 calc R . . . .
C23 C 0.6704(2) -0.0513(3) 0.69542(15) 0.0674(6) Uani 1 1 d . . . . .
H23 H 0.7633 -0.0858 0.6967 0.081 Uiso 1 1 calc R . . . .
C24 C 0.5718(3) -0.0720(2) 0.63646(15) 0.0647(6) Uani 1 1 d . . . . .
H24 H 0.6002 -0.1176 0.5963 0.078 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
O1 C6 1.375(2) . ?
O1 C7 1.427(2) . ?
O2 C8 1.459(2) . ?
O2 C16 1.370(2) . ?
N1 H1 0.89(3) . ?
N1 C5 1.398(3) . ?
N1 C8 1.422(2) . ?
C1 H1A 0.9300 . ?
C1 C2 1.378(3) . ?
C1 C6 1.388(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.371(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.391(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.385(3) . ?
C5 C6 1.392(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.529(3) . ?
C8 C9 1.512(3) . ?
C9 C10 1.385(3) . ?
C9 C14 1.401(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.383(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.380(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.383(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.403(3) . ?
C14 C15 1.481(3) . ?
C15 C16 1.384(3) . ?
C15 C20 1.439(3) . ?
C16 C17 1.401(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.359(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.417(3) . ?
C19 C20 1.424(3) . ?
C19 C24 1.410(3) . ?
C20 C21 1.420(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.368(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.402(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.360(4) . ?
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
C6 O1 C7 114.34(14) . . ?
C16 O2 C8 115.87(14) . . ?
C5 N1 H1 113.2(17) . . ?
C5 N1 C8 117.85(16) . . ?
C8 N1 H1 113.5(17) . . ?
C2 C1 H1A 120.0 . . ?
C2 C1 C6 120.0(2) . . ?
C6 C1 H1A 120.0 . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.2(2) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.4(2) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.1 . . ?
C5 C4 C3 119.9(2) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 N1 120.75(18) . . ?
C4 C5 C6 119.42(19) . . ?
C6 C5 N1 119.76(17) . . ?
O1 C6 C1 118.15(19) . . ?
O1 C6 C5 121.75(17) . . ?
C1 C6 C5 120.1(2) . . ?
O1 C7 H7A 109.3 . . ?
O1 C7 H7B 109.3 . . ?
O1 C7 C8 111.61(16) . . ?
H7A C7 H7B 108.0 . . ?
C8 C7 H7A 109.3 . . ?
C8 C7 H7B 109.3 . . ?
O2 C8 C7 108.68(15) . . ?
O2 C8 C9 109.77(15) . . ?
N1 C8 O2 107.76(16) . . ?
N1 C8 C7 107.58(17) . . ?
N1 C8 C9 110.86(15) . . ?
C9 C8 C7 112.05(16) . . ?
C10 C9 C8 121.07(17) . . ?
C10 C9 C14 120.56(18) . . ?
C14 C9 C8 118.37(16) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.72(19) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 120.4 . . ?
C12 C11 C10 119.29(19) . . ?
C12 C11 H11 120.4 . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.55(18) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 119.6 . . ?
C12 C13 C14 120.85(18) . . ?
C14 C13 H13 119.6 . . ?
C9 C14 C13 117.62(17) . . ?
C9 C14 C15 118.20(17) . . ?
C13 C14 C15 124.01(17) . . ?
C16 C15 C14 116.78(16) . . ?
C16 C15 C20 117.86(18) . . ?
C20 C15 C14 125.32(17) . . ?
O2 C16 C15 121.26(18) . . ?
O2 C16 C17 116.17(17) . . ?
C15 C16 C17 122.47(18) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.8(2) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 119.5 . . ?
C17 C18 C19 120.9(2) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 C20 119.31(19) . . ?
C24 C19 C18 121.2(2) . . ?
C24 C19 C20 119.4(2) . . ?
C19 C20 C15 119.11(19) . . ?
C21 C20 C15 123.64(19) . . ?
C21 C20 C19 117.18(19) . . ?
C20 C21 H21 119.4 . . ?
C22 C21 C20 121.2(2) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 119.4 . . ?
C21 C22 C23 121.1(2) . . ?
C23 C22 H22 119.4 . . ?
C22 C23 H23 120.5 . . ?
C24 C23 C22 118.9(2) . . ?
C24 C23 H23 120.5 . . ?
C19 C24 H24 119.1 . . ?
C23 C24 C19 121.9(2) . . ?
C23 C24 H24 119.1 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C12 H12 O1 0.93 2.87 3.444(2) 121.0 4_566

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 C7 C8 O2 57.8(2) . . . . ?
O1 C7 C8 N1 -58.6(2) . . . . ?
O1 C7 C8 C9 179.26(15) . . . . ?
O2 C8 C9 C10 -147.60(18) . . . . ?
O2 C8 C9 C14 31.8(2) . . . . ?
O2 C16 C17 C18 -176.5(2) . . . . ?
N1 C5 C6 O1 3.7(3) . . . . ?
N1 C5 C6 C1 -178.05(19) . . . . ?
N1 C8 C9 C10 -28.7(3) . . . . ?
N1 C8 C9 C14 150.70(18) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C2 C1 C6 O1 178.5(2) . . . . ?
C2 C1 C6 C5 0.3(3) . . . . ?
C2 C3 C4 C5 -0.6(4) . . . . ?
C3 C4 C5 N1 178.2(2) . . . . ?
C3 C4 C5 C6 1.2(3) . . . . ?
C4 C5 C6 O1 -179.30(18) . . . . ?
C4 C5 C6 C1 -1.1(3) . . . . ?
C5 N1 C8 O2 -73.7(2) . . . . ?
C5 N1 C8 C7 43.3(2) . . . . ?
C5 N1 C8 C9 166.18(17) . . . . ?
C6 O1 C7 C8 47.5(2) . . . . ?
C6 C1 C2 C3 0.4(4) . . . . ?
C7 O1 C6 C1 161.70(19) . . . . ?
C7 O1 C6 C5 -20.1(3) . . . . ?
C7 C8 C9 C10 91.5(2) . . . . ?
C7 C8 C9 C14 -89.1(2) . . . . ?
C8 O2 C16 C15 33.4(2) . . . . ?
C8 O2 C16 C17 -150.21(18) . . . . ?
C8 N1 C5 C4 165.33(19) . . . . ?
C8 N1 C5 C6 -17.7(3) . . . . ?
C8 C9 C10 C11 177.1(2) . . . . ?
C8 C9 C14 C13 -172.59(17) . . . . ?
C8 C9 C14 C15 2.9(3) . . . . ?
C9 C10 C11 C12 -3.0(3) . . . . ?
C9 C14 C15 C16 -22.6(3) . . . . ?
C9 C14 C15 C20 159.66(18) . . . . ?
C10 C9 C14 C13 6.8(3) . . . . ?
C10 C9 C14 C15 -177.76(18) . . . . ?
C10 C11 C12 C13 3.5(3) . . . . ?
C11 C12 C13 C14 1.3(3) . . . . ?
C12 C13 C14 C9 -6.3(3) . . . . ?
C12 C13 C14 C15 178.48(18) . . . . ?
C13 C14 C15 C16 152.51(19) . . . . ?
C13 C14 C15 C20 -25.2(3) . . . . ?
C14 C9 C10 C11 -2.2(3) . . . . ?
C14 C15 C16 O2 4.5(3) . . . . ?
C14 C15 C16 C17 -171.65(19) . . . . ?
C14 C15 C20 C19 169.08(18) . . . . ?
C14 C15 C20 C21 -14.0(3) . . . . ?
C15 C16 C17 C18 -0.2(3) . . . . ?
C15 C20 C21 C22 177.7(2) . . . . ?
C16 O2 C8 N1 -170.95(15) . . . . ?
C16 O2 C8 C7 72.74(19) . . . . ?
C16 O2 C8 C9 -50.1(2) . . . . ?
C16 C15 C20 C19 -8.6(3) . . . . ?
C16 C15 C20 C21 168.3(2) . . . . ?
C16 C17 C18 C19 -3.4(4) . . . . ?
C17 C18 C19 C20 0.8(4) . . . . ?
C17 C18 C19 C24 -176.5(2) . . . . ?
C18 C19 C20 C15 5.3(3) . . . . ?
C18 C19 C20 C21 -171.9(2) . . . . ?
C18 C19 C24 C23 176.0(2) . . . . ?
C19 C20 C21 C22 -5.4(3) . . . . ?
C20 C15 C16 O2 -177.64(17) . . . . ?
C20 C15 C16 C17 6.2(3) . . . . ?
C20 C19 C24 C23 -1.3(4) . . . . ?
C20 C21 C22 C23 1.0(4) . . . . ?
C21 C22 C23 C24 3.4(4) . . . . ?
C22 C23 C24 C19 -3.2(4) . . . . ?
C24 C19 C20 C15 -177.41(19) . . . . ?
C24 C19 C20 C21 5.5(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 1.128
_oxdiff_exptl_absorpt_empirical_full_min 0.885
