# Electronic Supplementary Material (ESI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_gb_1885_lt_mo
_database_code_depnum_ccdc_archive 'CCDC 2115681'
loop_
_audit_author_name
_audit_author_address
'Goutam Brahmachari'
;Visva Bharati University 
India
;
_audit_update_record             
;
2022-01-07 deposited with the CCDC.	2022-03-01 downloaded from the CCDC.
;
_audit_creation_date             2021-05-25
_audit_creation_method           
;
Olex2 1.2-ac21
(compiled 2015.09.16 svn.r134, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C24 H16 O5'
_chemical_formula_sum            'C24 H16 O5'
_chemical_formula_weight         384.37
_chemical_melting_point          ?
_chemical_oxdiff_formula         'c h n o s'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   4.9980(5)
_cell_length_b                   19.0007(14)
_cell_length_c                   18.7257(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.275(11)
_cell_angle_gamma                90.00
_cell_volume                     1767.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1389
_cell_measurement_temperature    150.0(7)
_cell_measurement_theta_max      28.1490
_cell_measurement_theta_min      2.3950
_exptl_absorpt_coefficient_mu    0.101
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59117
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       monoclinic
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.314
_exptl_crystal_size_mid          0.254
_exptl_crystal_size_min          0.156
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.1695
_diffrn_reflns_av_unetI/netI     0.1841
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5401
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.52
_diffrn_reflns_theta_min         2.19
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.0(7)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9974
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     37.00  90.00   1.00   20.00    --   26.84 178.00  60.00   53
  2  ω     -8.00  94.00   1.00   20.00    --   26.84  57.00-120.00  102
  3  ω     54.00 114.00   1.00   20.00    --   26.84 178.00-180.00   60
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0241768000
_diffrn_orient_matrix_UB_12      -0.0305238000
_diffrn_orient_matrix_UB_13      0.0201946000
_diffrn_orient_matrix_UB_21      0.1080583000
_diffrn_orient_matrix_UB_22      0.0091092000
_diffrn_orient_matrix_UB_23      0.0258967000
_diffrn_orient_matrix_UB_31      -0.0894568000
_diffrn_orient_matrix_UB_32      0.0194863000
_diffrn_orient_matrix_UB_33      0.0194889000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                1822
_reflns_number_total             3658
_reflns_odcompleteness_completeness 98.40
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.455
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         3658
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1489
_refine_ls_R_factor_gt           0.0982
_refine_ls_restrained_S_all      0.934
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0980P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2102
_refine_ls_wR_factor_ref         0.2541
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C10(H10), C11(H11)
2.b Aromatic/amide H refined with riding coordinates:
 C24(H24), C14(H14), C6(H6), C3(H3), C22(H22), C5(H5A), C20(H20), C21(H21),
 C4(H4), C23(H23), C16(H16), C15(H15), C17(H17)
2.c Idealised tetrahedral OH refined as rotating group:
 O5(H5)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
O3 O -0.0773(5) 0.73674(12) 0.43127(13) 0.0255(6) Uani 1 d . . .
O1 O 0.3150(5) 0.92379(13) 0.47129(13) 0.0256(6) Uani 1 d . . .
O2 O 0.5328(5) 0.90675(13) 0.37534(13) 0.0302(7) Uani 1 d . . .
O5 O 0.6977(6) 0.56459(15) 0.48981(14) 0.0382(7) Uani 1 d . . .
H5 H 0.6001 0.5934 0.5069 0.057 Uiso 1 calc . . GR
O4 O 0.3261(6) 0.65909(14) 0.48720(14) 0.0337(7) Uani 1 d . . .
C24 C -0.0620(8) 0.83007(18) 0.2575(2) 0.0257(8) Uani 1 d . . .
H24 H -0.1555 0.8459 0.2946 0.031 Uiso 1 calc . . R
C19 C 0.1578(7) 0.78476(19) 0.27189(18) 0.0237(8) Uani 1 d . . .
C9 C 0.2316(7) 0.81746(17) 0.40497(19) 0.0217(8) Uani 1 d . . .
C7 C -0.0218(7) 0.84233(18) 0.50643(18) 0.0207(8) Uani 1 d . . .
C8 C 0.0448(7) 0.79955(17) 0.44899(18) 0.0212(8) Uani 1 d . . .
C14 C 0.3421(8) 0.58549(18) 0.30812(19) 0.0262(8) Uani 1 d . . .
H14 H 0.2076 0.6125 0.2831 0.031 Uiso 1 calc . . R
C2 C 0.1294(7) 0.90441(18) 0.51738(18) 0.0230(8) Uani 1 d . . .
C12 C 0.2756(7) 0.65084(18) 0.4225(2) 0.0247(8) Uani 1 d . . .
C13 C 0.4098(7) 0.59726(18) 0.38223(19) 0.0235(8) Uani 1 d . . .
C6 C -0.2124(8) 0.82620(19) 0.55466(18) 0.0257(8) Uani 1 d . . .
H6 H -0.3138 0.7852 0.5485 0.031 Uiso 1 calc . . R
C1 C 0.3730(7) 0.88372(18) 0.41349(19) 0.0227(8) Uani 1 d . . .
C10 C 0.2550(8) 0.76224(17) 0.34859(19) 0.0247(8) Uani 1 d . . .
H10 H 0.4427 0.7467 0.3508 0.030 Uiso 1 calc . . R
C18 C 0.6171(8) 0.5563(2) 0.4191(2) 0.0284(9) Uani 1 d . . .
C3 C 0.0955(8) 0.94870(19) 0.57375(19) 0.0285(9) Uani 1 d . . .
H3 H 0.1985 0.9894 0.5805 0.034 Uiso 1 calc . . R
C22 C -0.0018(8) 0.8280(2) 0.1315(2) 0.0308(9) Uani 1 d . . .
H22 H -0.0546 0.8426 0.0847 0.037 Uiso 1 calc . . R
C11 C 0.0823(7) 0.70258(18) 0.38074(18) 0.0220(8) Uani 1 d . . .
H11 H -0.0332 0.6785 0.3427 0.026 Uiso 1 calc . . R
C5 C -0.2479(8) 0.8704(2) 0.6100(2) 0.0308(9) Uani 1 d . . .
H5A H -0.3749 0.8599 0.6412 0.037 Uiso 1 calc . . R
C20 C 0.2939(8) 0.76205(19) 0.21572(19) 0.0261(8) Uani 1 d . . .
H20 H 0.4412 0.7323 0.2252 0.031 Uiso 1 calc . . R
C21 C 0.2167(8) 0.7824(2) 0.1463(2) 0.0315(9) Uani 1 d . . .
H21 H 0.3094 0.7660 0.1092 0.038 Uiso 1 calc . . R
C4 C -0.0909(8) 0.9327(2) 0.6202(2) 0.0311(9) Uani 1 d . . .
H4 H -0.1142 0.9627 0.6583 0.037 Uiso 1 calc . . R
C23 C -0.1392(8) 0.85104(19) 0.1877(2) 0.0306(9) Uani 1 d . . .
H23 H -0.2855 0.8811 0.1782 0.037 Uiso 1 calc . . R
C16 C 0.6729(9) 0.49554(19) 0.3102(2) 0.0343(10) Uani 1 d . . .
H16 H 0.7590 0.4609 0.2861 0.041 Uiso 1 calc . . R
C15 C 0.4705(8) 0.5350(2) 0.2722(2) 0.0310(9) Uani 1 d . . .
H15 H 0.4233 0.5273 0.2234 0.037 Uiso 1 calc . . R
C17 C 0.7493(8) 0.5058(2) 0.3814(2) 0.0319(9) Uani 1 d . . .
H17 H 0.8887 0.4793 0.4050 0.038 Uiso 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
O3 C8 1.365(4) . ?
O3 C11 1.455(4) . ?
O1 C2 1.384(4) . ?
O1 C1 1.380(4) . ?
O2 C1 1.210(4) . ?
O5 H5 0.8200 . ?
O5 C18 1.351(4) . ?
O4 C12 1.221(4) . ?
C24 H24 0.9300 . ?
C24 C19 1.399(5) . ?
C24 C23 1.379(5) . ?
C19 C10 1.526(5) . ?
C19 C20 1.383(5) . ?
C9 C8 1.355(5) . ?
C9 C1 1.444(5) . ?
C9 C10 1.502(4) . ?
C7 C8 1.417(5) . ?
C7 C2 1.404(5) . ?
C7 C6 1.416(5) . ?
C14 H14 0.9300 . ?
C14 C13 1.410(5) . ?
C14 C15 1.370(5) . ?
C2 C3 1.375(5) . ?
C12 C13 1.471(5) . ?
C12 C11 1.531(5) . ?
C13 C18 1.413(5) . ?
C6 H6 0.9300 . ?
C6 C5 1.361(5) . ?
C10 H10 0.9800 . ?
C10 C11 1.583(5) . ?
C18 C17 1.399(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.376(5) . ?
C22 H22 0.9300 . ?
C22 C21 1.397(6) . ?
C22 C23 1.390(5) . ?
C11 H11 0.9800 . ?
C5 H5A 0.9300 . ?
C5 C4 1.421(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.372(5) . ?
C21 H21 0.9300 . ?
C4 H4 0.9300 . ?
C23 H23 0.9300 . ?
C16 H16 0.9300 . ?
C16 C15 1.391(6) . ?
C16 C17 1.360(6) . ?
C15 H15 0.9300 . ?
C17 H17 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
C8 O3 C11 106.6(2) . . ?
C1 O1 C2 123.7(3) . . ?
C18 O5 H5 109.5 . . ?
C19 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C23 C24 C19 119.6(3) . . ?
C24 C19 C10 121.1(3) . . ?
C20 C19 C24 119.1(3) . . ?
C20 C19 C10 119.7(3) . . ?
C8 C9 C1 120.9(3) . . ?
C8 C9 C10 111.3(3) . . ?
C1 C9 C10 127.7(3) . . ?
C2 C7 C8 115.2(3) . . ?
C2 C7 C6 118.5(3) . . ?
C6 C7 C8 126.2(3) . . ?
O3 C8 C7 123.4(3) . . ?
C9 C8 O3 113.0(3) . . ?
C9 C8 C7 123.6(3) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C15 C14 C13 121.3(4) . . ?
O1 C2 C7 121.3(3) . . ?
C3 C2 O1 117.6(3) . . ?
C3 C2 C7 121.1(3) . . ?
O4 C12 C13 122.7(3) . . ?
O4 C12 C11 118.3(3) . . ?
C13 C12 C11 118.7(3) . . ?
C14 C13 C12 122.7(3) . . ?
C14 C13 C18 118.5(3) . . ?
C18 C13 C12 118.8(3) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 C7 120.3(4) . . ?
C5 C6 H6 119.8 . . ?
O1 C1 C9 115.2(3) . . ?
O2 C1 O1 118.2(3) . . ?
O2 C1 C9 126.6(3) . . ?
C19 C10 H10 109.2 . . ?
C19 C10 C11 115.4(3) . . ?
C9 C10 C19 115.1(3) . . ?
C9 C10 H10 109.2 . . ?
C9 C10 C11 98.4(2) . . ?
C11 C10 H10 109.2 . . ?
O5 C18 C13 122.6(3) . . ?
O5 C18 C17 117.8(3) . . ?
C17 C18 C13 119.6(3) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0(4) . . ?
C4 C3 H3 120.0 . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C23 C22 C21 119.0(4) . . ?
O3 C11 C12 108.3(3) . . ?
O3 C11 C10 106.8(3) . . ?
O3 C11 H11 111.1 . . ?
C12 C11 C10 108.3(3) . . ?
C12 C11 H11 111.1 . . ?
C10 C11 H11 111.1 . . ?
C6 C5 H5A 120.0 . . ?
C6 C5 C4 120.0(3) . . ?
C4 C5 H5A 120.0 . . ?
C19 C20 H20 119.3 . . ?
C21 C20 C19 121.5(4) . . ?
C21 C20 H20 119.3 . . ?
C22 C21 H21 120.1 . . ?
C20 C21 C22 119.7(3) . . ?
C20 C21 H21 120.1 . . ?
C3 C4 C5 120.0(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C24 C23 C22 121.1(4) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C15 C16 H16 118.8 . . ?
C17 C16 H16 118.8 . . ?
C17 C16 C15 122.3(4) . . ?
C14 C15 C16 118.7(4) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
C18 C17 H17 120.2 . . ?
C16 C17 C18 119.6(4) . . ?
C16 C17 H17 120.2 . . ?

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
O5 H5 O4 0.82 1.86 2.580(4) 145.7 .

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 C2 C3 C4 178.5(3) . . . . ?
O5 C18 C17 C16 179.6(4) . . . . ?
O4 C12 C13 C14 176.8(4) . . . . ?
O4 C12 C13 C18 -3.8(5) . . . . ?
O4 C12 C11 O3 -20.3(4) . . . . ?
O4 C12 C11 C10 95.1(3) . . . . ?
C24 C19 C10 C9 -35.2(5) . . . . ?
C24 C19 C10 C11 78.3(4) . . . . ?
C24 C19 C20 C21 -0.6(6) . . . . ?
C19 C24 C23 C22 -0.1(5) . . . . ?
C19 C10 C11 O3 -104.9(3) . . . . ?
C19 C10 C11 C12 138.6(3) . . . . ?
C19 C20 C21 C22 0.9(6) . . . . ?
C9 C10 C11 O3 18.1(3) . . . . ?
C9 C10 C11 C12 -98.4(3) . . . . ?
C7 C2 C3 C4 -0.6(6) . . . . ?
C7 C6 C5 C4 -0.8(6) . . . . ?
C8 O3 C11 C12 96.8(3) . . . . ?
C8 O3 C11 C10 -19.7(3) . . . . ?
C8 C9 C1 O1 3.8(5) . . . . ?
C8 C9 C1 O2 -175.9(3) . . . . ?
C8 C9 C10 C19 112.2(3) . . . . ?
C8 C9 C10 C11 -10.9(4) . . . . ?
C8 C7 C2 O1 4.6(5) . . . . ?
C8 C7 C2 C3 -176.4(3) . . . . ?
C8 C7 C6 C5 176.7(4) . . . . ?
C14 C13 C18 O5 179.1(3) . . . . ?
C14 C13 C18 C17 0.2(5) . . . . ?
C2 O1 C1 O2 177.7(3) . . . . ?
C2 O1 C1 C9 -2.0(5) . . . . ?
C2 C7 C8 O3 178.7(3) . . . . ?
C2 C7 C8 C9 -2.8(5) . . . . ?
C2 C7 C6 C5 0.4(5) . . . . ?
C2 C3 C4 C5 0.2(6) . . . . ?
C12 C13 C18 O5 -0.2(5) . . . . ?
C12 C13 C18 C17 -179.2(3) . . . . ?
C13 C14 C15 C16 -0.6(6) . . . . ?
C13 C12 C11 O3 164.8(3) . . . . ?
C13 C12 C11 C10 -79.7(4) . . . . ?
C13 C18 C17 C16 -1.4(6) . . . . ?
C6 C7 C8 O3 2.4(6) . . . . ?
C6 C7 C8 C9 -179.2(3) . . . . ?
C6 C7 C2 O1 -178.7(3) . . . . ?
C6 C7 C2 C3 0.3(5) . . . . ?
C6 C5 C4 C3 0.5(6) . . . . ?
C1 O1 C2 C7 -2.2(5) . . . . ?
C1 O1 C2 C3 178.7(3) . . . . ?
C1 C9 C8 O3 177.2(3) . . . . ?
C1 C9 C8 C7 -1.4(5) . . . . ?
C1 C9 C10 C19 -65.3(5) . . . . ?
C1 C9 C10 C11 171.5(3) . . . . ?
C10 C19 C20 C21 -178.5(3) . . . . ?
C10 C9 C8 O3 -0.5(4) . . . . ?
C10 C9 C8 C7 -179.1(3) . . . . ?
C10 C9 C1 O1 -178.9(3) . . . . ?
C10 C9 C1 O2 1.4(6) . . . . ?
C11 O3 C8 C9 13.2(4) . . . . ?
C11 O3 C8 C7 -168.3(3) . . . . ?
C11 C12 C13 C14 -8.6(5) . . . . ?
C11 C12 C13 C18 170.8(3) . . . . ?
C20 C19 C10 C9 142.6(4) . . . . ?
C20 C19 C10 C11 -103.8(4) . . . . ?
C21 C22 C23 C24 0.4(6) . . . . ?
C23 C24 C19 C10 178.0(3) . . . . ?
C23 C24 C19 C20 0.2(5) . . . . ?
C23 C22 C21 C20 -0.8(6) . . . . ?
C15 C14 C13 C12 -179.8(3) . . . . ?
C15 C14 C13 C18 0.8(5) . . . . ?
C15 C16 C17 C18 1.7(6) . . . . ?
C17 C16 C15 C14 -0.7(6) . . . . ?

_olex2_date_sample_data_collection 2021-05-24
_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 3.926
_oxdiff_exptl_absorpt_empirical_full_min 0.618
