# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_r20210802b
_audit_block_doi                 10.5517/ccdc.csd.cc28vc8s
_database_code_depnum_ccdc_archive 'CCDC 2110705'
loop_
_audit_author_name
_audit_author_address
'yi cui'
;Nankai university
China
;
_audit_update_record             
;
2021-09-20 deposited with the CCDC.	2022-03-21 downloaded from the CCDC.
;
_audit_creation_date             2021-08-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H22 O6'
_chemical_formula_sum            'C19 H22 O6'
_chemical_formula_weight         346.36
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
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'

_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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   27.2898(10)
_cell_length_b                   7.6810(3)
_cell_length_c                   16.4376(6)
_cell_angle_alpha                90
_cell_angle_beta                 98.219(4)
_cell_angle_gamma                90
_cell_volume                     3410.1(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9427
_cell_measurement_temperature    113.15
_cell_measurement_theta_max      33.6190
_cell_measurement_theta_min      2.7050
_shelx_estimated_absorpt_T_max   0.980
_shelx_estimated_absorpt_T_min   0.976
_exptl_absorpt_coefficient_mu    0.100
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56680
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_av_unetI/netI     0.0463
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.939
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            24108
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.619
_diffrn_reflns_theta_min         2.732
_diffrn_ambient_temperature      113.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -120.00  60.00   1.00    1.00    --  -30.00  45.00   0.00  180
  2  ω   -120.00  60.00   1.00    1.00    --  -30.00  45.00  90.00  180
  3  ω   -120.00  60.00   1.00    1.00    --  -30.00  45.00 180.00  180
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  'Rigaku Saturn 70 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0261152000
_diffrn_orient_matrix_UB_12      -0.0090072000
_diffrn_orient_matrix_UB_13      0.0081468000
_diffrn_orient_matrix_UB_21      -0.0010654000
_diffrn_orient_matrix_UB_22      0.0052506000
_diffrn_orient_matrix_UB_23      0.0427775000
_diffrn_orient_matrix_UB_31      -0.0026142000
_diffrn_orient_matrix_UB_32      -0.0917707000
_diffrn_orient_matrix_UB_33      0.0015921000
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating anode'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4930
_reflns_number_total             6323
_reflns_odcompleteness_completeness 99.05
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_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         0.399
_refine_diff_density_min         -0.230
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         6323
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0497
_refine_ls_restrained_S_all      1.025
_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)+(0.0555P)²+1.8844P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1145
_refine_ls_wR_factor_ref         0.1273
_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:
 C8(H8), C15(H15)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C13(H13A,H13B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C17(H17A,H17B,H17C), 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 0.29809(3) 0.17350(13) 0.92255(5) 0.02667(19) Uani 1 1 d . . . . .
O2 O 0.39146(3) 0.55698(10) 0.76599(5) 0.01635(15) Uani 1 1 d . . . . .
O3 O 0.35839(3) 0.04761(11) 0.66139(6) 0.02728(19) Uani 1 1 d . . . . .
O4 O 0.44102(3) 0.06957(10) 0.67067(5) 0.02156(17) Uani 1 1 d . . . . .
O5 O 0.46469(3) 0.49224(11) 0.62551(5) 0.02214(17) Uani 1 1 d . . . . .
O6 O 0.41154(3) 0.34173(11) 0.53495(5) 0.02212(17) Uani 1 1 d . . . . .
C1 C 0.28405(5) 0.06035(19) 0.98388(8) 0.0304(3) Uani 1 1 d . . . . .
H1A H 0.290280 -0.060626 0.969413 0.046 Uiso 1 1 calc GR . . . .
H1B H 0.248751 0.075623 0.987283 0.046 Uiso 1 1 calc GR . . . .
H1C H 0.303473 0.088199 1.037138 0.046 Uiso 1 1 calc GR . . . .
C2 C 0.34623(4) 0.16687(15) 0.90828(6) 0.0194(2) Uani 1 1 d . . . . .
C3 C 0.38183(4) 0.05713(16) 0.94970(7) 0.0222(2) Uani 1 1 d . . . . .
H3 H 0.373719 -0.017252 0.991984 0.027 Uiso 1 1 calc R . . . .
C4 C 0.42936(4) 0.05696(15) 0.92881(7) 0.0225(2) Uani 1 1 d . . . . .
H4 H 0.453786 -0.017680 0.957237 0.027 Uiso 1 1 calc R . . . .
C5 C 0.44160(4) 0.16413(15) 0.86710(6) 0.0189(2) Uani 1 1 d . . . . .
H5 H 0.474076 0.162220 0.852622 0.023 Uiso 1 1 calc R . . . .
C6 C 0.40567(4) 0.27505(13) 0.82641(6) 0.01515(18) Uani 1 1 d . . . . .
C7 C 0.35786(4) 0.27974(14) 0.84667(6) 0.01650(19) Uani 1 1 d . . . . .
C8 C 0.31994(4) 0.40315(15) 0.80323(6) 0.01765(19) Uani 1 1 d . . . . .
H8 H 0.291318 0.333023 0.776070 0.021 Uiso 1 1 calc R . . . .
C9 C 0.29984(5) 0.54082(18) 0.85974(8) 0.0286(3) Uani 1 1 d . . . . .
H9A H 0.264580 0.518089 0.863951 0.034 Uiso 1 1 calc R . . . .
H9B H 0.319005 0.537398 0.915604 0.034 Uiso 1 1 calc R . . . .
C10 C 0.30578(4) 0.71854(17) 0.81928(8) 0.0268(2) Uani 1 1 d . . . . .
H10A H 0.276705 0.793646 0.823043 0.032 Uiso 1 1 calc R . . . .
H10B H 0.335946 0.778693 0.845931 0.032 Uiso 1 1 calc R . . . .
C11 C 0.30990(4) 0.67585(15) 0.72984(7) 0.0210(2) Uani 1 1 d . . . . .
H11A H 0.276848 0.655839 0.697683 0.025 Uiso 1 1 calc R . . . .
H11B H 0.326732 0.770623 0.703824 0.025 Uiso 1 1 calc R . . . .
C12 C 0.34052(4) 0.51116(14) 0.73650(6) 0.01610(19) Uani 1 1 d . . . . .
C13 C 0.34489(4) 0.41471(15) 0.65657(6) 0.0192(2) Uani 1 1 d . . . . .
H13A H 0.341945 0.496285 0.609488 0.023 Uiso 1 1 calc R . . . .
H13B H 0.318998 0.324089 0.645481 0.023 Uiso 1 1 calc R . . . .
C14 C 0.39713(4) 0.33199(14) 0.67202(6) 0.01548(18) Uani 1 1 d . . . . .
C15 C 0.41748(3) 0.39738(13) 0.76033(6) 0.01505(18) Uani 1 1 d . . . . .
H15 H 0.453947 0.418711 0.765681 0.018 Uiso 1 1 calc R . . . .
C16 C 0.39538(4) 0.13425(14) 0.66716(6) 0.01759(19) Uani 1 1 d . . . . .
C17 C 0.44441(5) -0.11901(16) 0.66840(8) 0.0296(3) Uani 1 1 d . . . . .
H17A H 0.425085 -0.162500 0.617626 0.044 Uiso 1 1 calc GR . . . .
H17B H 0.431308 -0.168345 0.715884 0.044 Uiso 1 1 calc GR . . . .
H17C H 0.479123 -0.153452 0.670158 0.044 Uiso 1 1 calc GR . . . .
C18 C 0.42922(4) 0.39911(13) 0.61020(6) 0.01584(18) Uani 1 1 d . . . . .
C19 C 0.43828(5) 0.40102(18) 0.46990(7) 0.0272(3) Uani 1 1 d . . . . .
H19A H 0.421996 0.356664 0.416954 0.041 Uiso 1 1 calc GR . . . .
H19B H 0.472398 0.357855 0.480096 0.041 Uiso 1 1 calc GR . . . .
H19C H 0.438495 0.528578 0.468728 0.041 Uiso 1 1 calc GR . . . .


_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 1.4244(14) . ?
O1 C2 1.3682(13) . ?
O2 C12 1.4488(12) . ?
O2 C15 1.4263(12) . ?
O3 C16 1.2013(13) . ?
O4 C16 1.3346(13) . ?
O4 C17 1.4523(14) . ?
O5 C18 1.2010(12) . ?
O6 C18 1.3366(13) . ?
O6 C19 1.4513(13) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.3887(15) . ?
C2 C7 1.4035(15) . ?
C3 H3 0.9500 . ?
C3 C4 1.3884(16) . ?
C4 H4 0.9500 . ?
C4 C5 1.3838(16) . ?
C5 H5 0.9500 . ?
C5 C6 1.3955(14) . ?
C6 C7 1.3925(13) . ?
C6 C15 1.5055(14) . ?
C7 C8 1.5059(14) . ?
C8 H8 1.0000 . ?
C8 C9 1.5582(16) . ?
C8 C12 1.5436(14) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.5371(19) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.5261(17) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.5114(15) . ?
C12 C13 1.5278(15) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.5483(14) . ?
C14 C15 1.5612(14) . ?
C14 C16 1.5213(15) . ?
C14 C18 1.5229(14) . ?
C15 H15 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 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
C2 O1 C1 117.42(9) . . ?
C15 O2 C12 103.42(7) . . ?
C16 O4 C17 115.64(9) . . ?
C18 O6 C19 115.18(9) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 124.07(10) . . ?
O1 C2 C7 114.98(9) . . ?
C3 C2 C7 120.95(10) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.47(10) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.85(10) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 120.4 . . ?
C4 C5 C6 119.19(10) . . ?
C6 C5 H5 120.4 . . ?
C5 C6 C15 121.24(9) . . ?
C7 C6 C5 121.29(9) . . ?
C7 C6 C15 117.45(9) . . ?
C2 C7 C8 121.34(9) . . ?
C6 C7 C2 118.22(9) . . ?
C6 C7 C8 120.44(9) . . ?
C7 C8 H8 108.2 . . ?
C7 C8 C9 114.90(9) . . ?
C7 C8 C12 112.34(8) . . ?
C9 C8 H8 108.2 . . ?
C12 C8 H8 108.2 . . ?
C12 C8 C9 104.70(9) . . ?
C8 C9 H9A 110.5 . . ?
C8 C9 H9B 110.5 . . ?
H9A C9 H9B 108.7 . . ?
C10 C9 C8 106.07(9) . . ?
C10 C9 H9A 110.5 . . ?
C10 C9 H9B 110.5 . . ?
C9 C10 H10A 110.8 . . ?
C9 C10 H10B 110.8 . . ?
H10A C10 H10B 108.9 . . ?
C11 C10 C9 104.65(10) . . ?
C11 C10 H10A 110.8 . . ?
C11 C10 H10B 110.8 . . ?
C10 C11 H11A 111.1 . . ?
C10 C11 H11B 111.1 . . ?
H11A C11 H11B 109.1 . . ?
C12 C11 C10 103.07(9) . . ?
C12 C11 H11A 111.1 . . ?
C12 C11 H11B 111.1 . . ?
O2 C12 C8 108.78(8) . . ?
O2 C12 C11 108.37(9) . . ?
O2 C12 C13 102.49(8) . . ?
C11 C12 C8 104.34(8) . . ?
C11 C12 C13 116.99(9) . . ?
C13 C12 C8 115.57(9) . . ?
C12 C13 H13A 111.0 . . ?
C12 C13 H13B 111.0 . . ?
C12 C13 C14 103.96(8) . . ?
H13A C13 H13B 109.0 . . ?
C14 C13 H13A 111.0 . . ?
C14 C13 H13B 111.0 . . ?
C13 C14 C15 102.55(8) . . ?
C16 C14 C13 112.32(8) . . ?
C16 C14 C15 111.98(8) . . ?
C16 C14 C18 108.65(8) . . ?
C18 C14 C13 110.82(8) . . ?
C18 C14 C15 110.45(8) . . ?
O2 C15 C6 109.24(8) . . ?
O2 C15 C14 102.88(8) . . ?
O2 C15 H15 110.6 . . ?
C6 C15 C14 112.69(8) . . ?
C6 C15 H15 110.6 . . ?
C14 C15 H15 110.6 . . ?
O3 C16 O4 124.44(11) . . ?
O3 C16 C14 125.24(10) . . ?
O4 C16 C14 110.32(9) . . ?
O4 C17 H17A 109.5 . . ?
O4 C17 H17B 109.5 . . ?
O4 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O5 C18 O6 124.31(9) . . ?
O5 C18 C14 125.80(9) . . ?
O6 C18 C14 109.87(8) . . ?
O6 C19 H19A 109.5 . . ?
O6 C19 H19B 109.5 . . ?
O6 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 C2 C3 C4 178.11(11) . . . . ?
O1 C2 C7 C6 -177.41(10) . . . . ?
O1 C2 C7 C8 2.59(15) . . . . ?
O2 C12 C13 C14 29.53(10) . . . . ?
C1 O1 C2 C3 0.07(17) . . . . ?
C1 O1 C2 C7 179.36(11) . . . . ?
C2 C3 C4 C5 -0.27(18) . . . . ?
C2 C7 C8 C9 61.87(14) . . . . ?
C2 C7 C8 C12 -178.57(10) . . . . ?
C3 C2 C7 C6 1.91(16) . . . . ?
C3 C2 C7 C8 -178.10(10) . . . . ?
C3 C4 C5 C6 0.85(17) . . . . ?
C4 C5 C6 C7 -0.04(16) . . . . ?
C4 C5 C6 C15 178.45(10) . . . . ?
C5 C6 C7 C2 -1.31(15) . . . . ?
C5 C6 C7 C8 178.69(10) . . . . ?
C5 C6 C15 O2 -143.01(9) . . . . ?
C5 C6 C15 C14 103.30(11) . . . . ?
C6 C7 C8 C9 -118.13(11) . . . . ?
C6 C7 C8 C12 1.43(14) . . . . ?
C7 C2 C3 C4 -1.14(17) . . . . ?
C7 C6 C15 O2 35.53(12) . . . . ?
C7 C6 C15 C14 -78.16(11) . . . . ?
C7 C8 C9 C10 128.27(10) . . . . ?
C7 C8 C12 O2 -38.05(12) . . . . ?
C7 C8 C12 C11 -153.55(9) . . . . ?
C7 C8 C12 C13 76.53(11) . . . . ?
C8 C9 C10 C11 20.49(12) . . . . ?
C8 C12 C13 C14 -88.61(10) . . . . ?
C9 C8 C12 O2 87.30(10) . . . . ?
C9 C8 C12 C11 -28.20(11) . . . . ?
C9 C8 C12 C13 -158.12(9) . . . . ?
C9 C10 C11 C12 -38.22(11) . . . . ?
C10 C11 C12 O2 -74.54(10) . . . . ?
C10 C11 C12 C8 41.25(11) . . . . ?
C10 C11 C12 C13 170.31(9) . . . . ?
C11 C12 C13 C14 147.89(9) . . . . ?
C12 O2 C15 C6 -72.19(9) . . . . ?
C12 O2 C15 C14 47.74(9) . . . . ?
C12 C8 C9 C10 4.55(11) . . . . ?
C12 C13 C14 C15 -1.64(10) . . . . ?
C12 C13 C14 C16 118.75(9) . . . . ?
C12 C13 C14 C18 -119.52(9) . . . . ?
C13 C14 C15 O2 -27.28(9) . . . . ?
C13 C14 C15 C6 90.23(9) . . . . ?
C13 C14 C16 O3 -7.98(15) . . . . ?
C13 C14 C16 O4 172.36(8) . . . . ?
C13 C14 C18 O5 111.49(12) . . . . ?
C13 C14 C18 O6 -67.29(11) . . . . ?
C15 O2 C12 C8 73.90(9) . . . . ?
C15 O2 C12 C11 -173.23(8) . . . . ?
C15 O2 C12 C13 -48.94(9) . . . . ?
C15 C6 C7 C2 -179.85(9) . . . . ?
C15 C6 C7 C8 0.15(14) . . . . ?
C15 C14 C16 O3 106.79(12) . . . . ?
C15 C14 C16 O4 -72.87(10) . . . . ?
C15 C14 C18 O5 -1.46(15) . . . . ?
C15 C14 C18 O6 179.76(8) . . . . ?
C16 C14 C15 O2 -147.91(8) . . . . ?
C16 C14 C15 C6 -30.40(11) . . . . ?
C16 C14 C18 O5 -124.65(11) . . . . ?
C16 C14 C18 O6 56.57(11) . . . . ?
C17 O4 C16 O3 -0.96(15) . . . . ?
C17 O4 C16 C14 178.71(9) . . . . ?
C18 C14 C15 O2 90.86(9) . . . . ?
C18 C14 C15 C6 -151.63(8) . . . . ?
C18 C14 C16 O3 -130.94(11) . . . . ?
C18 C14 C16 O4 49.40(11) . . . . ?
C19 O6 C18 O5 -0.41(16) . . . . ?
C19 O6 C18 C14 178.39(9) . . . . ?

_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 1.713
_oxdiff_exptl_absorpt_empirical_full_min 0.772
