# Electronic Supplementary Material (ESI) for Green Chemistry.
# 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_1788
_audit_block_doi                 10.5517/ccdc.csd.cc2d7qds
_database_code_depnum_ccdc_archive 'CCDC 2211955'
loop_
_audit_author_name
_audit_author_address
MZY
;Guilin Medical University
China
;
_audit_update_record             
;
2022-10-10 deposited with the CCDC.	2023-01-10 downloaded from the CCDC.
;
_audit_creation_date             2022-09-24
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H19 N O3'
_chemical_formula_sum            'C19 H19 N O3'
_chemical_formula_weight         309.35
_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 0.0181 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                   18.0732(3)
_cell_length_b                   8.28431(18)
_cell_length_c                   20.8875(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3127.35(10)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8042
_cell_measurement_temperature    169.99(10)
_cell_measurement_theta_max      73.5740
_cell_measurement_theta_min      2.4390
_shelx_estimated_absorpt_T_max   0.919
_shelx_estimated_absorpt_T_min   0.894
_exptl_absorpt_coefficient_mu    0.718
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47375
_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    1.314
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.16
_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  0.0297
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            13555
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.749
_diffrn_reflns_theta_min         4.233
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      169.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -115.00 -16.00   1.00    1.00    --  -40.73 -38.00   0.00   99
  2  ω    -35.00  73.00   1.00    1.00    --   40.73 -77.00-180.00  108
  3  ω    -34.00  65.00   1.00    1.00    --   40.73 -38.00-180.00   99
  4  ω     78.00 178.00   1.00    2.42    --  107.58  61.00-180.00  100
  5  ω     31.00 136.00   1.00    2.42    --  107.58 -30.00 150.00  105
  6  ω     94.00 178.00   1.00    2.42    --  107.58 125.00 120.00   84
  7  ω     82.00 178.00   1.00    2.42    --  107.58  45.00  90.00   96
  8  ω     94.00 178.00   1.00    2.42    --  107.58 125.00-120.00   84
  9  ω     34.00  50.00   1.00    2.42    --  107.58-125.00 120.00   16
;
_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      -0.0281072000
_diffrn_orient_matrix_UB_12      -0.0705147000
_diffrn_orient_matrix_UB_13      -0.0637393000
_diffrn_orient_matrix_UB_21      -0.0803655000
_diffrn_orient_matrix_UB_22      0.0160205000
_diffrn_orient_matrix_UB_23      0.0237110000
_diffrn_orient_matrix_UB_31      -0.0039844000
_diffrn_orient_matrix_UB_32      0.1713943000
_diffrn_orient_matrix_UB_33      -0.0285009000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\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                2850
_reflns_number_total             3076
_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 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.173
_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         3076
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0400
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0510P)²+1.0792P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1034
_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 Ternary CH refined with riding coordinates:
 C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C13(H13A,H13B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C15(H15), C16(H16), C17(H17), C18(H18),
 C19(H19)
2.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C)
;
_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 0.69146(5) 0.84593(11) 0.74673(4) 0.0322(2) Uani 1 1 d . . . . .
O2 O 0.55691(5) 0.44140(11) 0.73617(4) 0.0305(2) Uani 1 1 d . . . . .
O3 O 0.57335(5) 0.26993(12) 0.61957(5) 0.0320(2) Uani 1 1 d . . . . .
N1 N 0.64687(5) 0.61687(12) 0.70312(5) 0.0223(2) Uani 1 1 d . . . . .
C1 C 0.60139(6) 0.56035(16) 0.60300(6) 0.0250(3) Uani 1 1 d . . . . .
C2 C 0.57439(7) 0.59397(18) 0.54266(6) 0.0309(3) Uani 1 1 d . . . . .
H2 H 0.564185 0.509212 0.513321 0.037 Uiso 1 1 calc R U . . .
C3 C 0.56238(7) 0.7539(2) 0.52553(6) 0.0346(3) Uani 1 1 d . . . . .
H3 H 0.543076 0.778973 0.484411 0.042 Uiso 1 1 calc R U . . .
C4 C 0.57848(7) 0.87728(18) 0.56829(6) 0.0317(3) Uani 1 1 d . . . . .
H4 H 0.569496 0.985974 0.556057 0.038 Uiso 1 1 calc R U . . .
C5 C 0.60758(6) 0.84517(16) 0.62889(6) 0.0267(3) Uani 1 1 d . . . . .
H5 H 0.619248 0.929930 0.657813 0.032 Uiso 1 1 calc R U . . .
C6 C 0.61879(6) 0.68496(15) 0.64521(6) 0.0228(3) Uani 1 1 d . . . . .
C7 C 0.62244(6) 0.40047(16) 0.63272(6) 0.0255(3) Uani 1 1 d . . . . .
C8 C 0.69784(7) 0.34482(19) 0.60887(7) 0.0351(3) Uani 1 1 d . . . . .
H8A H 0.711897 0.245083 0.630975 0.053 Uiso 1 1 calc R U . . .
H8B H 0.734725 0.428665 0.617616 0.053 Uiso 1 1 calc R U . . .
H8C H 0.695420 0.324874 0.562671 0.053 Uiso 1 1 calc R U . . .
C9 C 0.62671(6) 0.44673(15) 0.70459(6) 0.0235(3) Uani 1 1 d . . . . .
H9 H 0.664622 0.380904 0.727699 0.028 Uiso 1 1 calc R U . . .
C10 C 0.50460(7) 0.27815(19) 0.65328(7) 0.0371(3) Uani 1 1 d . . . . .
H10A H 0.475251 0.179623 0.644661 0.044 Uiso 1 1 calc R U . . .
H10B H 0.475862 0.372507 0.638194 0.044 Uiso 1 1 calc R U . . .
C11 C 0.51864(8) 0.29299(18) 0.72385(7) 0.0378(3) Uani 1 1 d . . . . .
H11A H 0.471087 0.291609 0.747368 0.045 Uiso 1 1 calc R U . . .
H11B H 0.548859 0.200698 0.738789 0.045 Uiso 1 1 calc R U . . .
C12 C 0.67937(6) 0.70154(14) 0.75215(6) 0.0213(3) Uani 1 1 d . . . . .
C13 C 0.69797(6) 0.60711(15) 0.81211(6) 0.0247(3) Uani 1 1 d . . . . .
H13A H 0.651987 0.589310 0.836889 0.030 Uiso 1 1 calc R U . . .
H13B H 0.717476 0.500018 0.799561 0.030 Uiso 1 1 calc R U . . .
C14 C 0.75382(7) 0.68946(15) 0.85449(6) 0.0233(3) Uani 1 1 d . . . . .
C15 C 0.73270(8) 0.78622(16) 0.90556(6) 0.0313(3) Uani 1 1 d . . . . .
H15 H 0.681694 0.804930 0.913677 0.038 Uiso 1 1 calc R U . . .
C16 C 0.78610(10) 0.85608(18) 0.94501(7) 0.0423(4) Uani 1 1 d . . . . .
H16 H 0.771317 0.921975 0.979970 0.051 Uiso 1 1 calc R U . . .
C17 C 0.86017(9) 0.8299(2) 0.93349(8) 0.0450(4) Uani 1 1 d . . . . .
H17 H 0.896309 0.877669 0.960543 0.054 Uiso 1 1 calc R U . . .
C18 C 0.88197(8) 0.73462(19) 0.88282(8) 0.0391(3) Uani 1 1 d . . . . .
H18 H 0.933074 0.717129 0.874733 0.047 Uiso 1 1 calc R U . . .
C19 C 0.82901(7) 0.66434(16) 0.84365(6) 0.0287(3) Uani 1 1 d . . . . .
H19 H 0.844233 0.598118 0.808930 0.034 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 C12 1.2212(16) . ?
O2 C9 1.4242(14) . ?
O2 C11 1.4339(16) . ?
O3 C7 1.4254(15) . ?
O3 C10 1.4299(16) . ?
N1 C6 1.4280(15) . ?
N1 C9 1.4562(15) . ?
N1 C12 1.3733(15) . ?
C1 C2 1.3801(18) . ?
C1 C6 1.3934(17) . ?
C1 C7 1.5114(18) . ?
C2 H2 0.9500 . ?
C2 C3 1.390(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.3962(18) . ?
C5 H5 0.9500 . ?
C5 C6 1.3852(18) . ?
C7 C8 1.5224(16) . ?
C7 C9 1.5513(16) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9 1.0000 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.501(2) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.5144(16) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.5061(16) . ?
C14 C15 1.3879(18) . ?
C14 C19 1.3933(17) . ?
C15 H15 0.9500 . ?
C15 C16 1.395(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.377(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.378(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.3872(18) . ?
C19 H19 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
C9 O2 C11 111.76(10) . . ?
C7 O3 C10 114.19(10) . . ?
C6 N1 C9 108.13(9) . . ?
C12 N1 C6 125.60(10) . . ?
C12 N1 C9 125.85(10) . . ?
C2 C1 C6 120.54(13) . . ?
C2 C1 C7 129.86(12) . . ?
C6 C1 C7 109.43(10) . . ?
C1 C2 H2 120.6 . . ?
C1 C2 C3 118.86(13) . . ?
C3 C2 H2 120.6 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.24(12) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 119.3 . . ?
C3 C4 C5 121.47(13) . . ?
C5 C4 H4 119.3 . . ?
C4 C5 H5 121.3 . . ?
C6 C5 C4 117.43(12) . . ?
C6 C5 H5 121.3 . . ?
C1 C6 N1 108.88(11) . . ?
C5 C6 N1 129.71(11) . . ?
C5 C6 C1 121.41(11) . . ?
O3 C7 C1 115.41(10) . . ?
O3 C7 C8 105.32(10) . . ?
O3 C7 C9 113.88(10) . . ?
C1 C7 C8 110.87(11) . . ?
C1 C7 C9 101.15(10) . . ?
C8 C7 C9 110.30(10) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O2 C9 N1 105.16(9) . . ?
O2 C9 C7 113.36(9) . . ?
O2 C9 H9 111.5 . . ?
N1 C9 C7 103.37(10) . . ?
N1 C9 H9 111.5 . . ?
C7 C9 H9 111.5 . . ?
O3 C10 H10A 109.7 . . ?
O3 C10 H10B 109.7 . . ?
O3 C10 C11 109.92(11) . . ?
H10A C10 H10B 108.2 . . ?
C11 C10 H10A 109.7 . . ?
C11 C10 H10B 109.7 . . ?
O2 C11 C10 109.14(12) . . ?
O2 C11 H11A 109.9 . . ?
O2 C11 H11B 109.9 . . ?
C10 C11 H11A 109.9 . . ?
C10 C11 H11B 109.9 . . ?
H11A C11 H11B 108.3 . . ?
O1 C12 N1 120.51(11) . . ?
O1 C12 C13 122.88(11) . . ?
N1 C12 C13 116.61(10) . . ?
C12 C13 H13A 108.8 . . ?
C12 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
C14 C13 C12 113.63(10) . . ?
C14 C13 H13A 108.8 . . ?
C14 C13 H13B 108.8 . . ?
C15 C14 C13 121.94(11) . . ?
C15 C14 C19 118.66(12) . . ?
C19 C14 C13 119.38(11) . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.22(13) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.26(14) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.16(13) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 120.1 . . ?
C17 C18 C19 119.74(14) . . ?
C19 C18 H18 120.1 . . ?
C14 C19 H19 119.5 . . ?
C18 C19 C14 120.95(13) . . ?
C18 C19 H19 119.5 . . ?

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 C12 C13 C14 -19.15(17) . . . . ?
O3 C7 C9 O2 -39.68(14) . . . . ?
O3 C7 C9 N1 -152.97(10) . . . . ?
O3 C10 C11 O2 63.11(16) . . . . ?
N1 C12 C13 C14 161.52(10) . . . . ?
C1 C2 C3 C4 0.99(19) . . . . ?
C1 C7 C9 O2 84.76(11) . . . . ?
C1 C7 C9 N1 -28.53(11) . . . . ?
C2 C1 C6 N1 -178.70(10) . . . . ?
C2 C1 C6 C5 1.95(17) . . . . ?
C2 C1 C7 O3 -41.66(18) . . . . ?
C2 C1 C7 C8 77.97(15) . . . . ?
C2 C1 C7 C9 -165.06(12) . . . . ?
C2 C3 C4 C5 0.6(2) . . . . ?
C3 C4 C5 C6 -0.96(19) . . . . ?
C4 C5 C6 N1 -179.51(11) . . . . ?
C4 C5 C6 C1 -0.31(17) . . . . ?
C6 N1 C9 O2 -90.52(11) . . . . ?
C6 N1 C9 C7 28.59(11) . . . . ?
C6 N1 C12 O1 -5.52(18) . . . . ?
C6 N1 C12 C13 173.82(10) . . . . ?
C6 C1 C2 C3 -2.25(18) . . . . ?
C6 C1 C7 O3 143.15(10) . . . . ?
C6 C1 C7 C8 -97.23(12) . . . . ?
C6 C1 C7 C9 19.75(12) . . . . ?
C7 O3 C10 C11 -54.65(16) . . . . ?
C7 C1 C2 C3 -176.99(12) . . . . ?
C7 C1 C6 N1 -2.98(13) . . . . ?
C7 C1 C6 C5 177.67(10) . . . . ?
C8 C7 C9 O2 -157.84(11) . . . . ?
C8 C7 C9 N1 88.87(12) . . . . ?
C9 O2 C11 C10 -61.09(15) . . . . ?
C9 N1 C6 C1 -16.79(12) . . . . ?
C9 N1 C6 C5 162.49(12) . . . . ?
C9 N1 C12 O1 -177.21(11) . . . . ?
C9 N1 C12 C13 2.14(16) . . . . ?
C10 O3 C7 C1 -73.50(14) . . . . ?
C10 O3 C7 C8 163.87(11) . . . . ?
C10 O3 C7 C9 42.90(15) . . . . ?
C11 O2 C9 N1 161.47(10) . . . . ?
C11 O2 C9 C7 49.27(14) . . . . ?
C12 N1 C6 C1 170.30(10) . . . . ?
C12 N1 C6 C5 -10.43(19) . . . . ?
C12 N1 C9 O2 82.37(13) . . . . ?
C12 N1 C9 C7 -158.52(10) . . . . ?
C12 C13 C14 C15 94.74(14) . . . . ?
C12 C13 C14 C19 -87.31(14) . . . . ?
C13 C14 C15 C16 177.85(12) . . . . ?
C13 C14 C19 C18 -178.20(12) . . . . ?
C14 C15 C16 C17 0.2(2) . . . . ?
C15 C14 C19 C18 -0.2(2) . . . . ?
C15 C16 C17 C18 0.1(2) . . . . ?
C16 C17 C18 C19 -0.4(2) . . . . ?
C17 C18 C19 C14 0.4(2) . . . . ?
C19 C14 C15 C16 -0.12(19) . . . . ?

_olex2_date_sample_data_collection 2022-09-23
_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 1.822
_oxdiff_exptl_absorpt_empirical_full_min 0.444
