# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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_hj-017-1
_database_code_depnum_ccdc_archive 'CCDC 2085366'
loop_
_audit_author_name
_audit_author_address
huangjie
;Hubei University of Science and Technology
China
;
_audit_update_record             
;
2021-05-24 deposited with the CCDC.	2021-08-10 downloaded from the CCDC.
;
_audit_creation_date             2020-11-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H18 O4'
_chemical_formula_sum            'C25 H18 O4'
_chemical_formula_weight         382.39
_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'
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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.0932(6)
_cell_length_b                   17.3340(10)
_cell_length_c                   11.3690(7)
_cell_angle_alpha                90
_cell_angle_beta                 104.954(6)
_cell_angle_gamma                90
_cell_volume                     1921.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3884
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      27.9730
_cell_measurement_theta_min      2.3600
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74611
_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            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_unetI/netI     0.0334
_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       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8529
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.088
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.99(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     16.00  62.00   1.00    2.00    --  -11.43  77.00 -60.00   46
  2  ω    -14.00  41.00   1.00    2.00    --   12.05 -99.00 -60.00   55
  3  ω    -61.00  36.00   1.00    2.00    --   12.05 -37.00  30.00   97
;
_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      0.0435414000
_diffrn_orient_matrix_UB_12      0.0217734000
_diffrn_orient_matrix_UB_13      0.0472478000
_diffrn_orient_matrix_UB_21      -0.0581225000
_diffrn_orient_matrix_UB_22      0.0184456000
_diffrn_orient_matrix_UB_23      0.0115571000
_diffrn_orient_matrix_UB_31      -0.0041606000
_diffrn_orient_matrix_UB_32      -0.0292948000
_diffrn_orient_matrix_UB_33      0.0425038000
_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                2866
_reflns_number_total             3382
_reflns_odcompleteness_completeness 99.95
_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 1.171.38.43f (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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.159
_refine_diff_density_min         -0.220
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         3382
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0414
_refine_ls_restrained_S_all      1.076
_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)+(0.0412P)²+0.4770P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.0989
_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 Ternary CH refined with riding coordinates:
 C8(H8), C9(H9)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C12(H12), C13(H13), C15(H15),
 C16(H16), C22(H22), C23(H23), C24(H24), C25(H25)
2.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C)
;
_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 0.24841(12) 0.13835(7) 0.27869(10) 0.0374(3) Uani 1 1 d . . . . .
O2 O 0.39333(11) 0.31189(7) 0.24693(10) 0.0335(3) Uani 1 1 d . . . . .
O3 O 0.63360(11) 0.26004(7) 0.65393(9) 0.0321(3) Uani 1 1 d . . . . .
O4 O 1.02791(11) 0.03234(7) 0.66266(11) 0.0391(3) Uani 1 1 d . . . . .
C1 C 0.16500(15) 0.23804(9) 0.38206(13) 0.0270(4) Uani 1 1 d . . . . .
C2 C 0.18348(16) 0.28414(10) 0.48568(14) 0.0306(4) Uani 1 1 d . . . . .
H2 H 0.263625 0.280055 0.547946 0.037 Uiso 1 1 calc R U . . .
C3 C 0.08271(16) 0.33592(10) 0.49589(15) 0.0338(4) Uani 1 1 d . . . . .
H3 H 0.095255 0.366323 0.565299 0.041 Uiso 1 1 calc R U . . .
C4 C -0.03653(16) 0.34276(10) 0.40357(15) 0.0336(4) Uani 1 1 d . . . . .
H4 H -0.103175 0.378308 0.410365 0.040 Uiso 1 1 calc R U . . .
C5 C -0.05670(16) 0.29658(10) 0.30086(15) 0.0335(4) Uani 1 1 d . . . . .
H5 H -0.137285 0.300799 0.239125 0.040 Uiso 1 1 calc R U . . .
C6 C 0.04263(16) 0.24446(10) 0.29023(14) 0.0307(4) Uani 1 1 d . . . . .
H6 H 0.028314 0.213279 0.221523 0.037 Uiso 1 1 calc R U . . .
C7 C 0.27172(16) 0.18393(9) 0.36315(14) 0.0285(4) Uani 1 1 d . . . . .
C8 C 0.41295(15) 0.18671(9) 0.45006(14) 0.0272(4) Uani 1 1 d . . . . .
H8 H 0.419326 0.167419 0.532367 0.033 Uiso 1 1 calc R U . . .
C9 C 0.53301(16) 0.17153(9) 0.40253(13) 0.0274(4) Uani 1 1 d . . . . .
H9 H 0.510117 0.164300 0.314082 0.033 Uiso 1 1 calc R U . . .
C10 C 0.50498(15) 0.25505(9) 0.44202(13) 0.0264(4) Uani 1 1 d . . . . .
C11 C 0.66084(16) 0.13142(9) 0.46835(13) 0.0267(4) Uani 1 1 d . . . . .
C12 C 0.78296(16) 0.15179(10) 0.44232(14) 0.0312(4) Uani 1 1 d . . . . .
H12 H 0.781440 0.187791 0.381341 0.037 Uiso 1 1 calc R U . . .
C13 C 0.90684(17) 0.12016(9) 0.50435(14) 0.0314(4) Uani 1 1 d . . . . .
H13 H 0.987541 0.135246 0.485807 0.038 Uiso 1 1 calc R U . . .
C14 C 0.91011(16) 0.06586(9) 0.59431(14) 0.0302(4) Uani 1 1 d . . . . .
C15 C 0.78864(17) 0.04275(9) 0.61950(15) 0.0336(4) Uani 1 1 d . . . . .
H15 H 0.790022 0.005230 0.678275 0.040 Uiso 1 1 calc R U . . .
C16 C 0.66555(17) 0.07549(9) 0.55722(15) 0.0316(4) Uani 1 1 d . . . . .
H16 H 0.584695 0.059900 0.574983 0.038 Uiso 1 1 calc R U . . .
C17 C 1.15461(17) 0.06413(11) 0.65071(17) 0.0420(5) Uani 1 1 d . . . . .
H17A H 1.160712 0.057940 0.568361 0.063 Uiso 1 1 calc R U . . .
H17B H 1.229738 0.037785 0.704856 0.063 Uiso 1 1 calc R U . . .
H17C H 1.158398 0.118004 0.670900 0.063 Uiso 1 1 calc R U . . .
C18 C 0.47201(15) 0.31659(9) 0.34781(14) 0.0269(4) Uani 1 1 d . . . . .
C19 C 0.55614(15) 0.38477(9) 0.40075(14) 0.0280(4) Uani 1 1 d . . . . .
C20 C 0.63105(15) 0.36838(9) 0.51943(14) 0.0278(4) Uani 1 1 d . . . . .
C21 C 0.59681(15) 0.28957(9) 0.55390(14) 0.0264(4) Uani 1 1 d . . . . .
C22 C 0.72108(17) 0.42183(10) 0.58812(16) 0.0364(4) Uani 1 1 d . . . . .
H22 H 0.770944 0.410704 0.667177 0.044 Uiso 1 1 calc R U . . .
C23 C 0.7340(2) 0.49214(11) 0.53487(17) 0.0437(5) Uani 1 1 d . . . . .
H23 H 0.794424 0.528761 0.578489 0.052 Uiso 1 1 calc R U . . .
C24 C 0.6582(2) 0.50908(11) 0.41716(17) 0.0432(5) Uani 1 1 d . . . . .
H24 H 0.668366 0.556997 0.383744 0.052 Uiso 1 1 calc R U . . .
C25 C 0.56775(18) 0.45602(10) 0.34874(16) 0.0357(4) Uani 1 1 d . . . . .
H25 H 0.516445 0.467778 0.270399 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 C7 1.2185(19) . ?
O2 C18 1.2176(18) . ?
O3 C21 1.2146(18) . ?
O4 C14 1.3704(19) . ?
O4 C17 1.431(2) . ?
C1 C2 1.396(2) . ?
C1 C6 1.401(2) . ?
C1 C7 1.485(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.384(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.383(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.387(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.378(2) . ?
C6 H6 0.9300 . ?
C7 C8 1.511(2) . ?
C8 H8 0.9800 . ?
C8 C9 1.472(2) . ?
C8 C10 1.523(2) . ?
C9 H9 0.9800 . ?
C9 C10 1.563(2) . ?
C9 C11 1.486(2) . ?
C10 C18 1.487(2) . ?
C10 C21 1.492(2) . ?
C11 C12 1.386(2) . ?
C11 C16 1.392(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.381(2) . ?
C13 H13 0.9300 . ?
C13 C14 1.384(2) . ?
C14 C15 1.388(2) . ?
C15 H15 0.9300 . ?
C15 C16 1.383(2) . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.489(2) . ?
C19 C20 1.395(2) . ?
C19 C25 1.387(2) . ?
C20 C21 1.486(2) . ?
C20 C22 1.388(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.382(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.391(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.385(2) . ?
C25 H25 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
C14 O4 C17 116.67(13) . . ?
C2 C1 C6 118.93(15) . . ?
C2 C1 C7 122.67(14) . . ?
C6 C1 C7 118.37(14) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.08(14) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.44(16) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 119.97(16) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.02(15) . . ?
C6 C5 H5 120.0 . . ?
C1 C6 H6 119.7 . . ?
C5 C6 C1 120.55(16) . . ?
C5 C6 H6 119.7 . . ?
O1 C7 C1 121.58(14) . . ?
O1 C7 C8 119.58(15) . . ?
C1 C7 C8 118.83(14) . . ?
C7 C8 H8 115.6 . . ?
C7 C8 C10 118.21(13) . . ?
C9 C8 C7 118.76(13) . . ?
C9 C8 H8 115.6 . . ?
C9 C8 C10 62.89(10) . . ?
C10 C8 H8 115.6 . . ?
C8 C9 H9 113.6 . . ?
C8 C9 C10 60.13(10) . . ?
C8 C9 C11 126.05(13) . . ?
C10 C9 H9 113.6 . . ?
C11 C9 H9 113.6 . . ?
C11 C9 C10 119.12(13) . . ?
C8 C10 C9 56.98(10) . . ?
C18 C10 C8 125.08(13) . . ?
C18 C10 C9 118.75(12) . . ?
C18 C10 C21 107.49(13) . . ?
C21 C10 C8 121.01(13) . . ?
C21 C10 C9 119.84(13) . . ?
C12 C11 C9 118.53(14) . . ?
C12 C11 C16 117.82(15) . . ?
C16 C11 C9 123.63(14) . . ?
C11 C12 H12 119.1 . . ?
C13 C12 C11 121.87(15) . . ?
C13 C12 H12 119.1 . . ?
C12 C13 H13 120.2 . . ?
C12 C13 C14 119.55(15) . . ?
C14 C13 H13 120.2 . . ?
O4 C14 C13 123.99(14) . . ?
O4 C14 C15 116.35(14) . . ?
C13 C14 C15 119.65(15) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.03(15) . . ?
C16 C15 H15 120.0 . . ?
C11 C16 H16 119.5 . . ?
C15 C16 C11 121.01(15) . . ?
C15 C16 H16 119.5 . . ?
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 . . ?
O2 C18 C10 126.92(14) . . ?
O2 C18 C19 126.81(15) . . ?
C10 C18 C19 106.26(13) . . ?
C20 C19 C18 109.85(14) . . ?
C25 C19 C18 129.54(15) . . ?
C25 C19 C20 120.61(16) . . ?
C19 C20 C21 109.71(14) . . ?
C22 C20 C19 121.38(15) . . ?
C22 C20 C21 128.90(15) . . ?
O3 C21 C10 127.00(15) . . ?
O3 C21 C20 126.75(14) . . ?
C20 C21 C10 106.23(13) . . ?
C20 C22 H22 121.2 . . ?
C23 C22 C20 117.65(16) . . ?
C23 C22 H22 121.2 . . ?
C22 C23 H23 119.4 . . ?
C22 C23 C24 121.14(17) . . ?
C24 C23 H23 119.4 . . ?
C23 C24 H24 119.4 . . ?
C25 C24 C23 121.30(17) . . ?
C25 C24 H24 119.4 . . ?
C19 C25 H25 121.1 . . ?
C24 C25 C19 117.90(16) . . ?
C24 C25 H25 121.1 . . ?

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 C7 C8 C9 33.9(2) . . . . ?
O1 C7 C8 C10 106.72(17) . . . . ?
O2 C18 C19 C20 178.70(15) . . . . ?
O2 C18 C19 C25 -2.0(3) . . . . ?
O4 C14 C15 C16 178.04(14) . . . . ?
C1 C2 C3 C4 -0.3(2) . . . . ?
C1 C7 C8 C9 -145.16(14) . . . . ?
C1 C7 C8 C10 -72.35(18) . . . . ?
C2 C1 C6 C5 1.3(2) . . . . ?
C2 C1 C7 O1 172.05(14) . . . . ?
C2 C1 C7 C8 -8.9(2) . . . . ?
C2 C3 C4 C5 1.1(2) . . . . ?
C3 C4 C5 C6 -0.7(2) . . . . ?
C4 C5 C6 C1 -0.6(2) . . . . ?
C6 C1 C2 C3 -0.9(2) . . . . ?
C6 C1 C7 O1 -9.9(2) . . . . ?
C6 C1 C7 C8 169.19(13) . . . . ?
C7 C1 C2 C3 177.20(15) . . . . ?
C7 C1 C6 C5 -176.82(14) . . . . ?
C7 C8 C9 C10 108.95(15) . . . . ?
C7 C8 C9 C11 -145.03(15) . . . . ?
C7 C8 C10 C9 -109.80(16) . . . . ?
C7 C8 C10 C18 -5.7(2) . . . . ?
C7 C8 C10 C21 142.63(15) . . . . ?
C8 C9 C10 C18 -115.17(15) . . . . ?
C8 C9 C10 C21 109.61(15) . . . . ?
C8 C9 C11 C12 -149.75(16) . . . . ?
C8 C9 C11 C16 28.7(2) . . . . ?
C8 C10 C18 O2 -23.4(2) . . . . ?
C8 C10 C18 C19 157.46(14) . . . . ?
C8 C10 C21 O3 18.2(2) . . . . ?
C8 C10 C21 C20 -160.13(13) . . . . ?
C9 C8 C10 C18 104.15(16) . . . . ?
C9 C8 C10 C21 -107.56(16) . . . . ?
C9 C10 C18 O2 44.6(2) . . . . ?
C9 C10 C18 C19 -134.51(13) . . . . ?
C9 C10 C21 O3 -48.9(2) . . . . ?
C9 C10 C21 C20 132.71(14) . . . . ?
C9 C11 C12 C13 176.41(15) . . . . ?
C9 C11 C16 C15 -176.90(15) . . . . ?
C10 C8 C9 C11 106.02(17) . . . . ?
C10 C9 C11 C12 -77.19(18) . . . . ?
C10 C9 C11 C16 101.25(18) . . . . ?
C10 C18 C19 C20 -2.16(17) . . . . ?
C10 C18 C19 C25 177.18(15) . . . . ?
C11 C9 C10 C8 -117.19(15) . . . . ?
C11 C9 C10 C18 127.64(15) . . . . ?
C11 C9 C10 C21 -7.6(2) . . . . ?
C11 C12 C13 C14 0.8(2) . . . . ?
C12 C11 C16 C15 1.5(2) . . . . ?
C12 C13 C14 O4 -178.58(15) . . . . ?
C12 C13 C14 C15 1.2(2) . . . . ?
C13 C14 C15 C16 -1.8(2) . . . . ?
C14 C15 C16 C11 0.4(2) . . . . ?
C16 C11 C12 C13 -2.1(2) . . . . ?
C17 O4 C14 C13 9.2(2) . . . . ?
C17 O4 C14 C15 -170.67(14) . . . . ?
C18 C10 C21 O3 171.41(14) . . . . ?
C18 C10 C21 C20 -6.94(16) . . . . ?
C18 C19 C20 C21 -2.25(17) . . . . ?
C18 C19 C20 C22 178.12(14) . . . . ?
C18 C19 C25 C24 -177.69(15) . . . . ?
C19 C20 C21 O3 -172.61(15) . . . . ?
C19 C20 C21 C10 5.74(17) . . . . ?
C19 C20 C22 C23 0.1(2) . . . . ?
C20 C19 C25 C24 1.6(2) . . . . ?
C20 C22 C23 C24 0.8(3) . . . . ?
C21 C10 C18 O2 -175.22(15) . . . . ?
C21 C10 C18 C19 5.65(16) . . . . ?
C21 C20 C22 C23 -179.47(16) . . . . ?
C22 C20 C21 O3 7.0(3) . . . . ?
C22 C20 C21 C10 -174.67(15) . . . . ?
C22 C23 C24 C25 -0.5(3) . . . . ?
C23 C24 C25 C19 -0.7(3) . . . . ?
C25 C19 C20 C21 178.34(14) . . . . ?
C25 C19 C20 C22 -1.3(2) . . . . ?

_olex2_date_sample_data_collection 2020-11-18
_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 1.262
_oxdiff_exptl_absorpt_empirical_full_min 0.711
