# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 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_zhd_2
_database_code_depnum_ccdc_archive 'CCDC 2251492'
loop_
_audit_author_name
_audit_author_address
'hua zhang nitroindole'
;Department of Pharmacology North Sichuan Medical College
China
;
_audit_update_record             
;
2023-03-24 deposited with the CCDC.	2023-07-27 downloaded from the CCDC.
;
_audit_creation_date             2023-03-24
_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         'C19 H18 N2 O4'
_chemical_formula_sum            'C19 H18 N2 O4'
_chemical_formula_weight         338.35
_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 0.0033 0.0016 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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                   10.0316(9)
_cell_length_b                   11.9364(11)
_cell_length_c                   13.9690(14)
_cell_angle_alpha                90
_cell_angle_beta                 101.674(9)
_cell_angle_gamma                90
_cell_volume                     1638.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2765
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      27.2230
_cell_measurement_theta_min      2.6780
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.097
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88218
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light colourless'
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.15
_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  0.0308
_diffrn_reflns_av_unetI/netI     0.0421
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6991
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.264
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -24.00  59.00   1.00    4.00    --  -11.27  38.00  30.00   83
  2  ω    -83.00  27.00   1.00    4.00    --  -11.27   0.00-150.00  110
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0372787000
_diffrn_orient_matrix_UB_12      -0.0448201000
_diffrn_orient_matrix_UB_13      -0.0151670000
_diffrn_orient_matrix_UB_21      -0.0425995000
_diffrn_orient_matrix_UB_22      0.0017870000
_diffrn_orient_matrix_UB_23      -0.0471892000
_diffrn_orient_matrix_UB_31      0.0447500000
_diffrn_orient_matrix_UB_32      0.0389608000
_diffrn_orient_matrix_UB_33      -0.0153461000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2387
_reflns_number_total             2880
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.239
_refine_diff_density_min         -0.227
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         2880
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0434
_refine_ls_restrained_S_all      1.044
_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)+(0.0476P)²+0.4113P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0979
_refine_ls_wR_factor_ref         0.1075
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12), C13(H13),
 C14(H14)
2.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C)
;
_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 0.47369(14) 0.57918(12) 0.81092(10) 0.0398(4) Uani 1 1 d . . . . .
O2 O 0.50733(14) 0.42409(11) 0.73986(10) 0.0400(4) Uani 1 1 d . . . . .
O3 O 0.05394(13) 0.58253(11) 0.37520(10) 0.0340(4) Uani 1 1 d . . . . .
O4 O 0.21110(11) 0.44685(9) 0.37490(8) 0.0214(3) Uani 1 1 d . . . . .
N1 N 0.45498(15) 0.51663(13) 0.73877(11) 0.0267(4) Uani 1 1 d . . . . .
N2 N 0.22942(14) 0.55916(11) 0.50608(11) 0.0202(3) Uani 1 1 d . . . . .
C1 C 0.23040(17) 0.66882(14) 0.54422(13) 0.0214(4) Uani 1 1 d . . . . .
C2 C 0.16498(18) 0.76505(14) 0.50219(15) 0.0269(4) Uani 1 1 d . . . . .
H2 H 0.107599 0.763796 0.439118 0.032 Uiso 1 1 calc R U . . .
C3 C 0.18740(19) 0.86237(15) 0.55645(16) 0.0325(5) Uani 1 1 d . . . . .
H3 H 0.143455 0.929540 0.530696 0.039 Uiso 1 1 calc R U . . .
C4 C 0.27321(19) 0.86392(16) 0.64822(16) 0.0336(5) Uani 1 1 d . . . . .
H4 H 0.286329 0.932420 0.683506 0.040 Uiso 1 1 calc R U . . .
C5 C 0.33957(19) 0.76949(15) 0.68939(15) 0.0287(4) Uani 1 1 d . . . . .
H5 H 0.398621 0.772039 0.751776 0.034 Uiso 1 1 calc R U . . .
C6 C 0.31707(17) 0.66894(14) 0.63601(13) 0.0228(4) Uani 1 1 d . . . . .
C7 C 0.36787(17) 0.55664(14) 0.65158(12) 0.0208(4) Uani 1 1 d . . . . .
C8 C 0.31473(16) 0.49067(14) 0.57245(12) 0.0191(4) Uani 1 1 d . . . . .
C9 C 0.32817(17) 0.36900(14) 0.55541(12) 0.0191(4) Uani 1 1 d . . . . .
C10 C 0.44648(17) 0.32572(15) 0.53254(13) 0.0225(4) Uani 1 1 d . . . . .
H10 H 0.521860 0.373526 0.531402 0.027 Uiso 1 1 calc R U . . .
C11 C 0.45441(18) 0.21333(15) 0.51149(13) 0.0245(4) Uani 1 1 d . . . . .
H11 H 0.534319 0.184180 0.494003 0.029 Uiso 1 1 calc R U . . .
C12 C 0.34617(19) 0.14296(15) 0.51579(13) 0.0263(4) Uani 1 1 d . . . . .
H12 H 0.352341 0.065373 0.502169 0.032 Uiso 1 1 calc R U . . .
C13 C 0.22950(18) 0.18531(15) 0.53981(14) 0.0278(4) Uani 1 1 d . . . . .
H13 H 0.155619 0.136707 0.543234 0.033 Uiso 1 1 calc R U . . .
C14 C 0.21950(17) 0.29842(14) 0.55896(13) 0.0234(4) Uani 1 1 d . . . . .
H14 H 0.138373 0.327634 0.574502 0.028 Uiso 1 1 calc R U . . .
C15 C 0.15368(17) 0.53040(14) 0.41143(13) 0.0217(4) Uani 1 1 d . . . . .
C16 C 0.14188(17) 0.39506(14) 0.27943(12) 0.0222(4) Uani 1 1 d . . . . .
C17 C 0.23412(19) 0.29720(15) 0.27042(14) 0.0295(4) Uani 1 1 d . . . . .
H17A H 0.326436 0.324651 0.271344 0.044 Uiso 1 1 calc R U . . .
H17B H 0.199991 0.257784 0.208786 0.044 Uiso 1 1 calc R U . . .
H17C H 0.235736 0.245690 0.325273 0.044 Uiso 1 1 calc R U . . .
C18 C 0.00128(18) 0.35474(15) 0.28758(14) 0.0283(4) Uani 1 1 d . . . . .
H18A H 0.008306 0.307289 0.345634 0.042 Uiso 1 1 calc R U . . .
H18B H -0.038528 0.311464 0.229160 0.042 Uiso 1 1 calc R U . . .
H18C H -0.056817 0.419423 0.293205 0.042 Uiso 1 1 calc R U . . .
C19 C 0.14120(19) 0.48070(15) 0.19929(13) 0.0289(4) Uani 1 1 d . . . . .
H19A H 0.080922 0.542944 0.207724 0.043 Uiso 1 1 calc R U . . .
H19B H 0.108483 0.445485 0.135481 0.043 Uiso 1 1 calc R U . . .
H19C H 0.233742 0.509055 0.202813 0.043 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 N1 1.2378(19) . ?
O2 N1 1.2218(19) . ?
O3 C15 1.200(2) . ?
O4 C15 1.306(2) . ?
O4 C16 1.506(2) . ?
N1 C7 1.430(2) . ?
N2 C1 1.412(2) . ?
N2 C8 1.393(2) . ?
N2 C15 1.427(2) . ?
C1 C2 1.392(2) . ?
C1 C6 1.396(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.380(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.392(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.375(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.407(2) . ?
C6 C7 1.435(2) . ?
C7 C8 1.374(2) . ?
C8 C9 1.482(2) . ?
C9 C10 1.390(2) . ?
C9 C14 1.387(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.379(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.377(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.384(2) . ?
C14 H14 0.9500 . ?
C16 C17 1.511(3) . ?
C16 C18 1.516(2) . ?
C16 C19 1.515(2) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 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
C15 O4 C16 119.91(13) . . ?
O1 N1 C7 117.26(15) . . ?
O2 N1 O1 122.76(16) . . ?
O2 N1 C7 119.98(15) . . ?
C1 N2 C15 122.28(14) . . ?
C8 N2 C1 109.66(14) . . ?
C8 N2 C15 128.01(14) . . ?
C2 C1 N2 129.69(17) . . ?
C2 C1 C6 122.63(16) . . ?
C6 C1 N2 107.63(14) . . ?
C1 C2 H2 121.6 . . ?
C3 C2 C1 116.88(18) . . ?
C3 C2 H2 121.6 . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.24(18) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 H4 119.0 . . ?
C5 C4 C3 122.08(18) . . ?
C5 C4 H4 119.0 . . ?
C4 C5 H5 121.1 . . ?
C4 C5 C6 117.75(19) . . ?
C6 C5 H5 121.1 . . ?
C1 C6 C5 119.40(17) . . ?
C1 C6 C7 105.92(14) . . ?
C5 C6 C7 134.64(18) . . ?
N1 C7 C6 125.33(15) . . ?
C8 C7 N1 124.38(16) . . ?
C8 C7 C6 110.20(16) . . ?
N2 C8 C9 122.14(15) . . ?
C7 C8 N2 106.58(15) . . ?
C7 C8 C9 131.12(16) . . ?
C10 C9 C8 120.72(14) . . ?
C14 C9 C8 119.46(14) . . ?
C14 C9 C10 119.78(16) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 119.96(16) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.11(16) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.05(16) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.24(16) . . ?
C14 C13 H13 119.9 . . ?
C9 C14 C13 119.84(16) . . ?
C9 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
O3 C15 O4 128.86(17) . . ?
O3 C15 N2 120.55(16) . . ?
O4 C15 N2 110.57(14) . . ?
O4 C16 C17 102.16(13) . . ?
O4 C16 C18 109.46(14) . . ?
O4 C16 C19 108.04(13) . . ?
C17 C16 C18 110.82(15) . . ?
C17 C16 C19 111.79(15) . . ?
C18 C16 C19 113.86(15) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 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
O1 N1 C7 C6 10.0(2) . . . . ?
O1 N1 C7 C8 -166.20(16) . . . . ?
O2 N1 C7 C6 -170.03(16) . . . . ?
O2 N1 C7 C8 13.8(2) . . . . ?
N1 C7 C8 N2 176.38(14) . . . . ?
N1 C7 C8 C9 1.1(3) . . . . ?
N2 C1 C2 C3 -178.48(16) . . . . ?
N2 C1 C6 C5 178.27(15) . . . . ?
N2 C1 C6 C7 0.07(17) . . . . ?
N2 C8 C9 C10 108.57(19) . . . . ?
N2 C8 C9 C14 -69.1(2) . . . . ?
C1 N2 C8 C7 0.37(18) . . . . ?
C1 N2 C8 C9 176.18(14) . . . . ?
C1 N2 C15 O3 -26.5(2) . . . . ?
C1 N2 C15 O4 151.77(14) . . . . ?
C1 C2 C3 C4 1.0(3) . . . . ?
C1 C6 C7 N1 -176.51(15) . . . . ?
C1 C6 C7 C8 0.16(19) . . . . ?
C2 C1 C6 C5 0.4(2) . . . . ?
C2 C1 C6 C7 -177.77(15) . . . . ?
C2 C3 C4 C5 0.0(3) . . . . ?
C3 C4 C5 C6 -0.7(3) . . . . ?
C4 C5 C6 C1 0.5(2) . . . . ?
C4 C5 C6 C7 178.09(18) . . . . ?
C5 C6 C7 N1 5.7(3) . . . . ?
C5 C6 C7 C8 -177.64(18) . . . . ?
C6 C1 C2 C3 -1.2(3) . . . . ?
C6 C7 C8 N2 -0.33(18) . . . . ?
C6 C7 C8 C9 -175.62(15) . . . . ?
C7 C8 C9 C10 -76.8(2) . . . . ?
C7 C8 C9 C14 105.6(2) . . . . ?
C8 N2 C1 C2 177.36(17) . . . . ?
C8 N2 C1 C6 -0.27(18) . . . . ?
C8 N2 C15 O3 156.02(17) . . . . ?
C8 N2 C15 O4 -25.7(2) . . . . ?
C8 C9 C10 C11 -176.34(16) . . . . ?
C8 C9 C14 C13 177.77(16) . . . . ?
C9 C10 C11 C12 -1.8(3) . . . . ?
C10 C9 C14 C13 0.1(3) . . . . ?
C10 C11 C12 C13 0.9(3) . . . . ?
C11 C12 C13 C14 0.5(3) . . . . ?
C12 C13 C14 C9 -1.0(3) . . . . ?
C14 C9 C10 C11 1.3(3) . . . . ?
C15 O4 C16 C17 -174.64(14) . . . . ?
C15 O4 C16 C18 -57.14(19) . . . . ?
C15 O4 C16 C19 67.35(18) . . . . ?
C15 N2 C1 C2 -0.5(3) . . . . ?
C15 N2 C1 C6 -178.13(14) . . . . ?
C15 N2 C8 C7 178.07(15) . . . . ?
C15 N2 C8 C9 -6.1(2) . . . . ?
C16 O4 C15 O3 -7.6(3) . . . . ?
C16 O4 C15 N2 174.32(12) . . . . ?

_olex2_date_sample_data_collection 2023-03-24
_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 1.239
_oxdiff_exptl_absorpt_empirical_full_min 0.672
