# 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_chenl-0620
_database_code_depnum_ccdc_archive 'CCDC 2421824'
loop_
_audit_author_name
_audit_author_address
'Lin Chen'
;Guizhou Normal University
China
;
_audit_update_record             
;
2025-02-06 deposited with the CCDC.	2026-02-16 downloaded from the CCDC.
;
_audit_creation_date             2024-06-22
_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 H21 N3 O3'
_chemical_formula_sum            'C24 H21 N3 O3'
_chemical_formula_weight         399.44
_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'
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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.2783(3)
_cell_length_b                   13.2651(4)
_cell_length_c                   17.3247(5)
_cell_angle_alpha                90
_cell_angle_beta                 101.723(3)
_cell_angle_gamma                90
_cell_volume                     2087.81(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10150
_cell_measurement_temperature    127(30)
_cell_measurement_theta_max      72.6720
_cell_measurement_theta_min      3.3340
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.690
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54758
_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    1.271
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0379
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14210
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.010
_diffrn_reflns_theta_min         4.231
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      127(30)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     73.00 107.00   0.50    0.10    --   99.00-101.00-120.00   68
  2  ω     34.00  69.00   0.50    0.10    --   99.00-125.00-150.00   70
  3  ω    -12.00  30.00   0.50    0.05    --   45.87-101.00-120.00   84
  4  ω     34.00  64.00   0.50    0.10    --   99.00-125.00  90.00   60
  5  ω     71.00 111.00   0.50    0.10    --   99.00-125.00  90.00   80
  6  ω     35.00  70.00   0.50    0.10    --   99.00 -61.00  60.00   70
  7  ω     27.00  53.00   0.50    0.10    --   99.00 -45.00 150.00   52
  8  ω     28.00  53.00   0.50    0.10    --   99.00 -45.00   0.00   50
  9  ω     28.00  53.00   0.50    0.10    --   99.00 -45.00  30.00   50
 10  ω     27.00  52.00   0.50    0.10    --   99.00 -45.00 -90.00   50
 11  ω     27.00  53.00   0.50    0.10    --   99.00 -45.00-120.00   52
 12  ω     27.00  53.00   0.50    0.10    --   99.00 -45.00-150.00   52
 13  ω    -29.00  28.00   0.50    0.05    --   45.87 -19.00-120.00  114
 14  ω    -16.00  44.00   0.50    0.05    --   45.87 -37.00 120.00  120
 15  ω    124.00 170.00   0.50    0.10    --   99.00 101.00 -16.00   92
 16  ω    -67.00 -27.00   0.50    0.10    --  -99.00  61.00 150.00   80
 17  ω    -59.00 -34.00   0.50    0.10    --  -99.00  61.00  90.00   50
 18  ω    -54.00 -26.00   0.50    0.10    --  -99.00  61.00   0.00   56
 19  ω    -67.00 -39.00   0.50    0.10    --  -99.00  61.00 -30.00   56
 20  ω    -70.00  17.00   0.50    0.05    --  -45.87 101.00 -16.00  174
 21  ω   -102.00 -45.00   0.50    0.10    --  -99.00 101.00 -16.00  114
 22  ω    -87.00 -33.00   0.50    0.10    --  -99.00 125.00-120.00  108
 23  ω    -71.00 -44.00   0.50    0.10    --  -99.00 125.00-150.00   54
 24  ω   -102.00 -74.00   0.50    0.10    --  -99.00 125.00-150.00   56
 25  ω   -173.00-105.00   0.50    0.10    --  -99.00 -30.00  90.00  136
 26  ω   -149.00-100.00   0.50    0.10    --  -99.00-101.00-120.00   98
;
_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      -0.1008643000
_diffrn_orient_matrix_UB_12      0.0425575000
_diffrn_orient_matrix_UB_13      0.0526515000
_diffrn_orient_matrix_UB_21      -0.0767655000
_diffrn_orient_matrix_UB_22      -0.1032264000
_diffrn_orient_matrix_UB_23      -0.0012853000
_diffrn_orient_matrix_UB_31      0.1126466000
_diffrn_orient_matrix_UB_32      -0.0320512000
_diffrn_orient_matrix_UB_33      0.0739450000
_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                3621
_reflns_number_total             4048
_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 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.388
_refine_diff_density_min         -0.300
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       0.0052(6)
_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   1.081
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         4048
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0458
_refine_ls_restrained_S_all      1.081
_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)+(0.1025P)²+0.6074P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1498
_refine_ls_wR_factor_ref         0.1599
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C23(H23A,H23B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3A), C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21)
2.c Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C)
;
_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 0.54672(12) 0.50010(8) 0.24921(7) 0.0260(3) Uani 1 1 d . . . . .
O2 O 0.78963(12) 0.51491(9) 0.41066(7) 0.0254(3) Uani 1 1 d . . . . .
O3 O 0.66459(13) 0.57576(9) 0.49991(7) 0.0285(3) Uani 1 1 d . . . . .
N1 N 0.79549(14) 0.30714(10) 0.31599(8) 0.0210(3) Uani 1 1 d . . . . .
N2 N 0.72700(14) 0.37693(10) 0.25942(7) 0.0201(3) Uani 1 1 d . . . . .
N3 N 0.57571(14) 0.44516(10) 0.41962(8) 0.0212(3) Uani 1 1 d . . . . .
H3 H 0.496(3) 0.4398(17) 0.4447(13) 0.036(6) Uiso 1 1 d . . . . .
C1 C 0.78216(17) 0.24936(11) 0.44577(9) 0.0215(4) Uani 1 1 d . . . . .
C2 C 0.70233(17) 0.24263(12) 0.50596(9) 0.0241(4) Uani 1 1 d . . . . .
H2 H 0.611130 0.277074 0.500972 0.029 Uiso 1 1 calc R U . . .
C3 C 0.75596(19) 0.18571(14) 0.57307(10) 0.0290(4) Uani 1 1 d . . . . .
H3A H 0.701385 0.181617 0.613799 0.035 Uiso 1 1 calc R U . . .
C4 C 0.8883(2) 0.13509(14) 0.58076(10) 0.0316(4) Uani 1 1 d . . . . .
H4 H 0.924060 0.095718 0.626438 0.038 Uiso 1 1 calc R U . . .
C5 C 0.96904(19) 0.14192(14) 0.52141(11) 0.0314(4) Uani 1 1 d . . . . .
H5 H 1.060145 0.107266 0.526802 0.038 Uiso 1 1 calc R U . . .
C6 C 0.91723(17) 0.19893(13) 0.45461(10) 0.0260(4) Uani 1 1 d . . . . .
H6 H 0.973425 0.203879 0.414636 0.031 Uiso 1 1 calc R U . . .
C7 C 0.72747(16) 0.30838(11) 0.37415(9) 0.0196(3) Uani 1 1 d . . . . .
C8 C 0.59160(16) 0.37511(11) 0.35760(8) 0.0192(3) Uani 1 1 d . . . . .
C9 C 0.61604(16) 0.42961(11) 0.28244(9) 0.0202(3) Uani 1 1 d . . . . .
C10 C 0.44861(17) 0.31378(12) 0.33330(9) 0.0215(3) Uani 1 1 d . . . . .
C11 C 0.31454(18) 0.36464(14) 0.31826(10) 0.0289(4) Uani 1 1 d . . . . .
H11 H 0.312650 0.435954 0.323021 0.035 Uiso 1 1 calc R U . . .
C12 C 0.18396(19) 0.31173(16) 0.29639(11) 0.0364(5) Uani 1 1 d . . . . .
H12 H 0.092773 0.346787 0.286937 0.044 Uiso 1 1 calc R U . . .
C13 C 0.1858(2) 0.20752(16) 0.28823(12) 0.0386(5) Uani 1 1 d . . . . .
H13 H 0.096156 0.171254 0.273309 0.046 Uiso 1 1 calc R U . . .
C14 C 0.3181(2) 0.15727(15) 0.30188(11) 0.0373(5) Uani 1 1 d . . . . .
H14 H 0.319587 0.086077 0.296121 0.045 Uiso 1 1 calc R U . . .
C15 C 0.45009(19) 0.20975(13) 0.32407(10) 0.0284(4) Uani 1 1 d . . . . .
H15 H 0.541045 0.174444 0.332901 0.034 Uiso 1 1 calc R U . . .
C16 C 0.78103(16) 0.38649(12) 0.18875(9) 0.0200(3) Uani 1 1 d . . . . .
C17 C 0.83173(17) 0.30036(12) 0.15697(10) 0.0234(4) Uani 1 1 d . . . . .
H17 H 0.832996 0.237373 0.183201 0.028 Uiso 1 1 calc R U . . .
C18 C 0.88048(18) 0.30743(13) 0.08650(10) 0.0281(4) Uani 1 1 d . . . . .
H18 H 0.914244 0.248797 0.064141 0.034 Uiso 1 1 calc R U . . .
C19 C 0.88023(18) 0.39960(14) 0.04848(10) 0.0285(4) Uani 1 1 d . . . . .
H19 H 0.913665 0.404042 0.000274 0.034 Uiso 1 1 calc R U . . .
C20 C 0.83106(18) 0.48493(13) 0.08113(10) 0.0260(4) Uani 1 1 d . . . . .
H20 H 0.831715 0.548070 0.055333 0.031 Uiso 1 1 calc R U . . .
C21 C 0.78051(17) 0.47920(12) 0.15159(9) 0.0233(4) Uani 1 1 d . . . . .
H21 H 0.746292 0.537832 0.173741 0.028 Uiso 1 1 calc R U . . .
C22 C 0.67602(17) 0.51677(12) 0.44768(9) 0.0217(3) Uani 1 1 d . . . . .
C23 C 0.90242(18) 0.59219(12) 0.43205(10) 0.0259(4) Uani 1 1 d . . . . .
H23A H 0.954697 0.583530 0.487440 0.031 Uiso 1 1 calc R U . . .
H23B H 0.857634 0.660209 0.426057 0.031 Uiso 1 1 calc R U . . .
C24 C 1.0062(2) 0.57923(18) 0.37740(13) 0.0466(6) Uani 1 1 d . . . . .
H24A H 0.953163 0.589178 0.322954 0.070 Uiso 1 1 calc R U . . .
H24B H 1.047847 0.511115 0.383207 0.070 Uiso 1 1 calc R U . . .
H24C H 1.085653 0.628890 0.390110 0.070 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 C9 1.2120(19) . ?
O2 C22 1.341(2) . ?
O2 C23 1.4581(18) . ?
O3 C22 1.217(2) . ?
N1 N2 1.4030(17) . ?
N1 C7 1.293(2) . ?
N2 C9 1.369(2) . ?
N2 C16 1.420(2) . ?
N3 H3 0.93(2) . ?
N3 C8 1.4506(19) . ?
N3 C22 1.349(2) . ?
C1 C2 1.399(2) . ?
C1 C6 1.401(2) . ?
C1 C7 1.468(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.391(2) . ?
C3 H3A 0.9500 . ?
C3 C4 1.382(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.393(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.384(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.519(2) . ?
C8 C9 1.546(2) . ?
C8 C10 1.540(2) . ?
C10 C11 1.392(2) . ?
C10 C15 1.390(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.385(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.390(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.375(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.393(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.391(2) . ?
C16 C21 1.388(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.389(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.388(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.384(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.396(2) . ?
C21 H21 0.9500 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.491(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 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
C22 O2 C23 117.32(12) . . ?
C7 N1 N2 108.21(12) . . ?
N1 N2 C16 118.18(12) . . ?
C9 N2 N1 113.20(13) . . ?
C9 N2 C16 128.60(13) . . ?
C8 N3 H3 120.3(14) . . ?
C22 N3 H3 116.1(14) . . ?
C22 N3 C8 123.45(13) . . ?
C2 C1 C6 119.03(14) . . ?
C2 C1 C7 121.31(14) . . ?
C6 C1 C7 119.66(15) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.26(16) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 C2 120.30(17) . . ?
C4 C3 H3A 119.9 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.86(15) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.34(16) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 H6 119.9 . . ?
C5 C6 C1 120.20(16) . . ?
C5 C6 H6 119.9 . . ?
N1 C7 C1 120.82(14) . . ?
N1 C7 C8 112.21(13) . . ?
C1 C7 C8 126.96(14) . . ?
N3 C8 C7 116.03(12) . . ?
N3 C8 C9 112.26(12) . . ?
N3 C8 C10 109.23(12) . . ?
C7 C8 C9 99.98(12) . . ?
C7 C8 C10 112.30(12) . . ?
C10 C8 C9 106.40(11) . . ?
O1 C9 N2 127.83(15) . . ?
O1 C9 C8 127.34(14) . . ?
N2 C9 C8 104.74(12) . . ?
C11 C10 C8 118.84(14) . . ?
C15 C10 C8 121.87(14) . . ?
C15 C10 C11 119.28(15) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.29(17) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.25(17) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.58(16) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C15 120.62(18) . . ?
C15 C14 H14 119.7 . . ?
C10 C15 C14 119.96(16) . . ?
C10 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 N2 118.36(14) . . ?
C21 C16 N2 120.71(14) . . ?
C21 C16 C17 120.92(15) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 C16 119.29(15) . . ?
C18 C17 H17 120.4 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.47(16) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.2 . . ?
C20 C19 C18 119.69(16) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.69(15) . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C20 118.94(15) . . ?
C16 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
O2 C22 N3 111.50(13) . . ?
O3 C22 O2 124.28(14) . . ?
O3 C22 N3 124.23(15) . . ?
O2 C23 H23A 110.5 . . ?
O2 C23 H23B 110.5 . . ?
O2 C23 C24 106.27(14) . . ?
H23A C23 H23B 108.7 . . ?
C24 C23 H23A 110.5 . . ?
C24 C23 H23B 110.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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 N2 C9 O1 173.03(14) . . . . ?
N1 N2 C9 C8 -10.46(16) . . . . ?
N1 N2 C16 C17 35.53(19) . . . . ?
N1 N2 C16 C21 -145.71(14) . . . . ?
N1 C7 C8 N3 -132.18(14) . . . . ?
N1 C7 C8 C9 -11.25(15) . . . . ?
N1 C7 C8 C10 101.21(15) . . . . ?
N2 N1 C7 C1 -174.62(12) . . . . ?
N2 N1 C7 C8 5.71(16) . . . . ?
N2 C16 C17 C18 177.87(13) . . . . ?
N2 C16 C21 C20 -178.36(13) . . . . ?
N3 C8 C9 O1 -47.6(2) . . . . ?
N3 C8 C9 N2 135.84(12) . . . . ?
N3 C8 C10 C11 48.13(18) . . . . ?
N3 C8 C10 C15 -133.53(16) . . . . ?
C1 C2 C3 C4 -0.2(2) . . . . ?
C1 C7 C8 N3 48.2(2) . . . . ?
C1 C7 C8 C9 169.10(14) . . . . ?
C1 C7 C8 C10 -78.44(18) . . . . ?
C2 C1 C6 C5 1.2(2) . . . . ?
C2 C1 C7 N1 -173.99(14) . . . . ?
C2 C1 C7 C8 5.6(2) . . . . ?
C2 C3 C4 C5 0.7(3) . . . . ?
C3 C4 C5 C6 -0.2(3) . . . . ?
C4 C5 C6 C1 -0.7(3) . . . . ?
C6 C1 C2 C3 -0.7(2) . . . . ?
C6 C1 C7 N1 6.3(2) . . . . ?
C6 C1 C7 C8 -174.08(14) . . . . ?
C7 N1 N2 C9 3.41(17) . . . . ?
C7 N1 N2 C16 -178.26(12) . . . . ?
C7 C1 C2 C3 179.59(14) . . . . ?
C7 C1 C6 C5 -179.13(15) . . . . ?
C7 C8 C9 O1 -171.22(14) . . . . ?
C7 C8 C9 N2 12.24(14) . . . . ?
C7 C8 C10 C11 178.32(14) . . . . ?
C7 C8 C10 C15 -3.3(2) . . . . ?
C8 N3 C22 O2 0.5(2) . . . . ?
C8 N3 C22 O3 -179.65(14) . . . . ?
C8 C10 C11 C12 -179.91(15) . . . . ?
C8 C10 C15 C14 -179.89(16) . . . . ?
C9 N2 C16 C17 -146.43(15) . . . . ?
C9 N2 C16 C21 32.3(2) . . . . ?
C9 C8 C10 C11 -73.26(17) . . . . ?
C9 C8 C10 C15 105.08(17) . . . . ?
C10 C8 C9 O1 71.82(18) . . . . ?
C10 C8 C9 N2 -104.73(13) . . . . ?
C10 C11 C12 C13 -0.9(3) . . . . ?
C11 C10 C15 C14 -1.6(3) . . . . ?
C11 C12 C13 C14 -0.1(3) . . . . ?
C12 C13 C14 C15 0.2(3) . . . . ?
C13 C14 C15 C10 0.6(3) . . . . ?
C15 C10 C11 C12 1.7(3) . . . . ?
C16 N2 C9 O1 -5.1(3) . . . . ?
C16 N2 C9 C8 171.43(13) . . . . ?
C16 C17 C18 C19 0.7(2) . . . . ?
C17 C16 C21 C20 0.4(2) . . . . ?
C17 C18 C19 C20 0.0(2) . . . . ?
C18 C19 C20 C21 -0.5(2) . . . . ?
C19 C20 C21 C16 0.4(2) . . . . ?
C21 C16 C17 C18 -0.9(2) . . . . ?
C22 O2 C23 C24 -174.55(15) . . . . ?
C22 N3 C8 C7 59.1(2) . . . . ?
C22 N3 C8 C9 -54.98(18) . . . . ?
C22 N3 C8 C10 -172.75(13) . . . . ?
C23 O2 C22 O3 -3.3(2) . . . . ?
C23 O2 C22 N3 176.59(13) . . . . ?

_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 2.005
_oxdiff_exptl_absorpt_empirical_full_min 0.488
