# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_bo3zb-acctone
_database_code_depnum_ccdc_archive 'CCDC 2302822'
loop_
_audit_author_name
_audit_author_address
'Zhiyu Liao'
;CQMU
China
;
_audit_update_record             
;
2023-10-23 deposited with the CCDC.	2024-03-22 downloaded from the CCDC.
;
_audit_creation_date             2023-10-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C18 H13 N O3'
_chemical_formula_sum            'C18 H13 N O3'
_chemical_formula_weight         291.29
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     'C1 H1 O1 N1'
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      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                   11.24800(10)
_cell_length_b                   11.9893(2)
_cell_length_c                   21.1722(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2855.19(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7792
_cell_measurement_temperature    292.37(10)
_cell_measurement_theta_max      71.5520
_cell_measurement_theta_min      4.2320
_shelx_estimated_absorpt_T_max   0.799
_shelx_estimated_absorpt_T_min   0.736
_exptl_absorpt_coefficient_mu    0.760
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.24469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.31
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_unetI/netI     0.0177
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            14004
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.819
_diffrn_reflns_theta_min         5.739
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      292.37(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0243
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.987
_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 -19.00   1.00    1.00    --  -35.97 -57.00-150.00   84
  2  ω    -33.00  55.00   1.00    1.00    --   35.97 -38.00 -90.00   88
  3  ω     28.00  90.00   1.00    1.00    --   35.97-126.00-180.00   62
  4  ω     38.00 109.00   1.00    1.77    --  107.97-112.00 -90.00   71
  5  ω     38.00 109.00   1.00    1.77    --  107.97-112.00-180.00   71
  6  ω    103.00 176.00   1.00    1.77    --  107.97  77.00 -60.00   73
  7  ω     90.00 175.00   1.00    1.77    --  107.97  61.00-180.00   85
  8  ω    103.00 176.00   1.00    1.77    --  107.97  77.00-150.00   73
  9  ω    103.00 176.00   1.00    1.77    --  107.97  77.00 -90.00   73
 10  ω    104.00 178.00   1.00    1.77    --  107.97 112.00  30.00   74
 11  ω   -105.00 -17.00   1.00    1.00    --  -35.97 -38.00 -60.00   88
 12  ω    -55.00  33.00   1.00    1.00    --  -35.97  38.00 120.00   88
 13  ω   -103.00 -19.00   1.00    1.00    --  -35.97 -57.00  60.00   84
 14  ω     87.00 147.00   1.00    1.77    --  107.97  30.00  30.00   60
 15  ω     90.00 175.00   1.00    1.77    --  107.97  61.00 120.00   85
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0807523000
_diffrn_orient_matrix_UB_12      0.0052290000
_diffrn_orient_matrix_UB_13      -0.0586992000
_diffrn_orient_matrix_UB_21      0.1105617000
_diffrn_orient_matrix_UB_22      -0.0021790000
_diffrn_orient_matrix_UB_23      0.0428867000
_diffrn_orient_matrix_UB_31      0.0013656000
_diffrn_orient_matrix_UB_32      -0.1284070000
_diffrn_orient_matrix_UB_33      -0.0031584000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2592
_reflns_number_total             2758
_reflns_odcompleteness_completeness 99.90
_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 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.564
_refine_diff_density_min         -0.252
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2758
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0572
_refine_ls_restrained_S_all      1.074
_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)+(0.0855P)²+1.4358P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1571
_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
2.a Ternary CH refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C10(H10)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C14(H14), C15(H15), C16(H16), C17(H17),
 C18(H18)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.16381(13) 0.22525(13) 0.71343(7) 0.0509(4) Uani 1 1 d . . . . .
O2 O 0.55298(14) 0.13637(13) 0.61018(8) 0.0541(4) Uani 1 1 d . . . . .
O3 O 0.39332(14) 0.38056(12) 0.75176(7) 0.0506(4) Uani 1 1 d . . . . .
N1 N 0.48320(12) 0.27778(12) 0.67379(7) 0.0315(4) Uani 1 1 d . . . . .
C1 C 0.17320(17) 0.22823(16) 0.64864(9) 0.0405(4) Uani 1 1 d . . . . .
C2 C 0.1111(2) 0.3055(2) 0.61153(13) 0.0568(6) Uani 1 1 d . . . . .
H2 H 0.0613 0.3588 0.6293 0.068 Uiso 1 1 calc R . . . .
C3 C 0.1280(3) 0.2978(2) 0.54638(13) 0.0624(7) Uani 1 1 d . . . . .
H3 H 0.0898 0.3481 0.5198 0.075 Uiso 1 1 calc R . . . .
C4 C 0.1996(3) 0.2179(2) 0.52115(12) 0.0641(7) Uani 1 1 d . . . . .
H4 H 0.2087 0.2145 0.4775 0.077 Uiso 1 1 calc R . . . .
C5 C 0.2588(2) 0.1421(2) 0.55827(11) 0.0558(6) Uani 1 1 d . . . . .
H5 H 0.3076 0.0882 0.5402 0.067 Uiso 1 1 calc R . . . .
C6 C 0.24452(18) 0.14747(16) 0.62266(9) 0.0402(4) Uani 1 1 d . . . . .
C7 C 0.29210(18) 0.07477(16) 0.67601(10) 0.0422(5) Uani 1 1 d . . . . .
H7 H 0.2683 -0.0038 0.6744 0.051 Uiso 1 1 calc R . . . .
C8 C 0.24513(18) 0.14105(17) 0.73339(10) 0.0428(5) Uani 1 1 d . . . . .
H8 H 0.2110 0.0923 0.7658 0.051 Uiso 1 1 calc R . . . .
C9 C 0.37423(17) 0.17768(17) 0.74964(9) 0.0383(4) Uani 1 1 d . . . . .
H9 H 0.3989 0.1593 0.7928 0.046 Uiso 1 1 calc R . . . .
C10 C 0.42248(17) 0.09689(16) 0.69907(10) 0.0405(4) Uani 1 1 d . . . . .
H10 H 0.4635 0.0312 0.7159 0.049 Uiso 1 1 calc R . . . .
C11 C 0.49553(15) 0.16685(16) 0.65511(9) 0.0365(4) Uani 1 1 d . . . . .
C12 C 0.41401(15) 0.29171(15) 0.72772(8) 0.0340(4) Uani 1 1 d . . . . .
C13 C 0.54315(16) 0.36826(14) 0.64290(8) 0.0324(4) Uani 1 1 d . . . . .
C14 C 0.48086(19) 0.44088(18) 0.60513(11) 0.0484(5) Uani 1 1 d . . . . .
H14 H 0.3997 0.4313 0.5986 0.058 Uiso 1 1 calc R . . . .
C15 C 0.5409(3) 0.5286(2) 0.57688(12) 0.0631(7) Uani 1 1 d . . . . .
H15 H 0.4997 0.5791 0.5517 0.076 Uiso 1 1 calc R . . . .
C16 C 0.6616(2) 0.54140(19) 0.58596(11) 0.0584(6) Uani 1 1 d . . . . .
H16 H 0.7014 0.6006 0.5670 0.070 Uiso 1 1 calc R . . . .
C17 C 0.7228(2) 0.4676(2) 0.62267(11) 0.0569(6) Uani 1 1 d . . . . .
H17 H 0.8045 0.4754 0.6278 0.068 Uiso 1 1 calc R . . . .
C18 C 0.66346(18) 0.38139(19) 0.65223(10) 0.0469(5) Uani 1 1 d . . . . .
H18 H 0.7046 0.3324 0.6783 0.056 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 C1 1.376(2) . ?
O1 C8 1.426(3) . ?
O2 C11 1.207(2) . ?
O3 C12 1.203(2) . ?
N1 C11 1.394(2) . ?
N1 C12 1.392(2) . ?
N1 C13 1.435(2) . ?
C1 C2 1.401(3) . ?
C1 C6 1.372(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.395(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.361(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.374(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.374(3) . ?
C6 C7 1.524(3) . ?
C7 H7 0.9800 . ?
C7 C8 1.545(3) . ?
C7 C10 1.568(3) . ?
C8 H8 0.9800 . ?
C8 C9 1.556(3) . ?
C9 H9 0.9800 . ?
C9 C10 1.542(3) . ?
C9 C12 1.511(3) . ?
C10 H10 0.9800 . ?
C10 C11 1.498(3) . ?
C13 C14 1.374(3) . ?
C13 C18 1.377(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.386(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.379(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.364(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.381(3) . ?
C18 H18 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
C1 O1 C8 105.33(15) . . ?
C11 N1 C13 123.03(15) . . ?
C12 N1 C11 113.75(15) . . ?
C12 N1 C13 123.09(14) . . ?
O1 C1 C2 122.54(19) . . ?
C6 C1 O1 115.21(18) . . ?
C6 C1 C2 122.2(2) . . ?
C1 C2 H2 121.9 . . ?
C3 C2 C1 116.3(2) . . ?
C3 C2 H2 121.9 . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.0(2) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 119.1 . . ?
C3 C4 C5 121.9(2) . . ?
C5 C4 H4 119.1 . . ?
C4 C5 H5 120.7 . . ?
C4 C5 C6 118.7(2) . . ?
C6 C5 H5 120.7 . . ?
C1 C6 C5 119.9(2) . . ?
C1 C6 C7 108.17(17) . . ?
C5 C6 C7 131.9(2) . . ?
C6 C7 H7 115.4 . . ?
C6 C7 C8 99.71(16) . . ?
C6 C7 C10 117.54(15) . . ?
C8 C7 H7 115.4 . . ?
C8 C7 C10 89.32(15) . . ?
C10 C7 H7 115.4 . . ?
O1 C8 C7 110.52(16) . . ?
O1 C8 H8 112.2 . . ?
O1 C8 C9 117.67(16) . . ?
C7 C8 H8 112.2 . . ?
C7 C8 C9 89.99(15) . . ?
C9 C8 H8 112.2 . . ?
C8 C9 H9 114.0 . . ?
C10 C9 C8 89.87(15) . . ?
C10 C9 H9 114.0 . . ?
C12 C9 C8 117.63(16) . . ?
C12 C9 H9 114.0 . . ?
C12 C9 C10 104.52(14) . . ?
C7 C10 H10 114.7 . . ?
C9 C10 C7 89.61(14) . . ?
C9 C10 H10 114.7 . . ?
C11 C10 C7 114.47(16) . . ?
C11 C10 C9 105.82(15) . . ?
C11 C10 H10 114.7 . . ?
O2 C11 N1 124.45(18) . . ?
O2 C11 C10 127.87(18) . . ?
N1 C11 C10 107.65(15) . . ?
O3 C12 N1 124.15(17) . . ?
O3 C12 C9 127.85(17) . . ?
N1 C12 C9 107.99(15) . . ?
C14 C13 N1 120.30(17) . . ?
C14 C13 C18 120.81(18) . . ?
C18 C13 N1 118.89(16) . . ?
C13 C14 H14 120.5 . . ?
C13 C14 C15 118.9(2) . . ?
C15 C14 H14 120.5 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(2) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.3(2) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0(2) . . ?
C18 C17 H17 120.0 . . ?
C13 C18 C17 119.7(2) . . ?
C13 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?

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 C1 C2 C3 -179.2(2) . . . . ?
O1 C1 C6 C5 179.20(18) . . . . ?
O1 C1 C6 C7 0.9(2) . . . . ?
O1 C8 C9 C10 -121.71(18) . . . . ?
O1 C8 C9 C12 -15.3(3) . . . . ?
N1 C13 C14 C15 178.83(19) . . . . ?
N1 C13 C18 C17 179.69(19) . . . . ?
C1 O1 C8 C7 -10.1(2) . . . . ?
C1 O1 C8 C9 91.25(19) . . . . ?
C1 C2 C3 C4 1.2(4) . . . . ?
C1 C6 C7 C8 -6.51(19) . . . . ?
C1 C6 C7 C10 -100.8(2) . . . . ?
C2 C1 C6 C5 1.4(3) . . . . ?
C2 C1 C6 C7 -176.83(18) . . . . ?
C2 C3 C4 C5 -0.5(4) . . . . ?
C3 C4 C5 C6 0.2(4) . . . . ?
C4 C5 C6 C1 -0.7(3) . . . . ?
C4 C5 C6 C7 177.1(2) . . . . ?
C5 C6 C7 C8 175.5(2) . . . . ?
C5 C6 C7 C10 81.2(3) . . . . ?
C6 C1 C2 C3 -1.6(3) . . . . ?
C6 C7 C8 O1 10.14(19) . . . . ?
C6 C7 C8 C9 -109.58(15) . . . . ?
C6 C7 C10 C9 92.26(18) . . . . ?
C6 C7 C10 C11 -15.0(2) . . . . ?
C7 C8 C9 C10 -8.41(14) . . . . ?
C7 C8 C9 C12 97.96(18) . . . . ?
C7 C10 C11 O2 -86.0(2) . . . . ?
C7 C10 C11 N1 92.04(19) . . . . ?
C8 O1 C1 C2 -176.50(18) . . . . ?
C8 O1 C1 C6 5.8(2) . . . . ?
C8 C7 C10 C9 -8.34(14) . . . . ?
C8 C7 C10 C11 -115.58(17) . . . . ?
C8 C9 C10 C7 8.28(14) . . . . ?
C8 C9 C10 C11 123.66(16) . . . . ?
C8 C9 C12 O3 80.0(3) . . . . ?
C8 C9 C12 N1 -101.18(18) . . . . ?
C9 C10 C11 O2 177.0(2) . . . . ?
C9 C10 C11 N1 -4.9(2) . . . . ?
C10 C7 C8 O1 127.99(16) . . . . ?
C10 C7 C8 C9 8.27(14) . . . . ?
C10 C9 C12 O3 177.62(19) . . . . ?
C10 C9 C12 N1 -3.55(19) . . . . ?
C11 N1 C12 O3 179.42(18) . . . . ?
C11 N1 C12 C9 0.5(2) . . . . ?
C11 N1 C13 C14 107.3(2) . . . . ?
C11 N1 C13 C18 -73.3(2) . . . . ?
C12 N1 C11 O2 -179.00(18) . . . . ?
C12 N1 C11 C10 2.9(2) . . . . ?
C12 N1 C13 C14 -77.3(2) . . . . ?
C12 N1 C13 C18 102.2(2) . . . . ?
C12 C9 C10 C7 -110.31(15) . . . . ?
C12 C9 C10 C11 5.07(19) . . . . ?
C13 N1 C11 O2 -3.2(3) . . . . ?
C13 N1 C11 C10 178.68(15) . . . . ?
C13 N1 C12 O3 3.6(3) . . . . ?
C13 N1 C12 C9 -175.28(15) . . . . ?
C13 C14 C15 C16 1.0(4) . . . . ?
C14 C13 C18 C17 -0.9(3) . . . . ?
C14 C15 C16 C17 0.2(4) . . . . ?
C15 C16 C17 C18 -1.7(4) . . . . ?
C16 C17 C18 C13 2.0(3) . . . . ?
C18 C13 C14 C15 -0.6(3) . . . . ?


_olex2_date_sample_data_collection 2023-10-16
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.856
_oxdiff_exptl_absorpt_empirical_full_min 0.441
