# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_202507zy1a_auto
_database_code_depnum_ccdc_archive 'CCDC 2493872'
loop_
_audit_author_name
_audit_author_address
'Liwen Shen'
;Zunyi Normal University
China
;
_audit_update_record             
;
2025-10-08 deposited with the CCDC.	2026-04-20 downloaded from the CCDC.
;
_audit_creation_date             2025-07-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H22 O6'
_chemical_formula_sum            'C24 H22 O6'
_chemical_formula_weight         406.41
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNO
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.6132(3)
_cell_length_b                   9.9563(3)
_cell_length_c                   11.4160(3)
_cell_angle_alpha                78.958(2)
_cell_angle_beta                 70.028(3)
_cell_angle_gamma                86.994(3)
_cell_volume                     1007.82(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    12586
_cell_measurement_temperature    276.36(10)
_cell_measurement_theta_max      31.0120
_cell_measurement_theta_min      2.5430
_cell_oxdiff_angle_alpha         78.969(3)
_cell_oxdiff_angle_beta          70.021(3)
_cell_oxdiff_angle_gamma         87.004(3)
_cell_oxdiff_length_a            9.6139(4)
_cell_oxdiff_length_b            9.9564(3)
_cell_oxdiff_length_c            11.4163(3)
_cell_oxdiff_measurement_reflns_used 9237
_cell_oxdiff_volume              1007.93(6)
_shelx_estimated_absorpt_T_max   0.990
_shelx_estimated_absorpt_T_min   0.985
_exptl_absorpt_coefficient_mu    0.096
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.142a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19923
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.254
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      276.36(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -27.00  21.00   0.50    0.27    --    6.13 100.00-120.00   96
  2  ω      8.00  39.00   0.50    0.27    --    6.13 -99.00 -60.00   62
  3  ω    -18.00  39.00   0.50    0.27    --    6.13 -99.00   0.00  114
  4  ω    -65.00  20.00   0.50    0.27    --    6.13 -57.00  60.00  170
  5  ω    -17.00  39.00   0.50    0.27    --    6.13-100.00 134.00  112
  6  ω      2.00  30.00   0.50    0.27    --    6.13 -99.00 150.00   56
  7  ω    -77.00 -16.00   0.50    0.27    --   -4.10 -77.00 120.00  122
  8  ω    -77.00 -16.00   0.50    0.27    --   -4.10 -77.00 120.00  122
  9  ω    -17.00  29.00   0.50    0.27    --   -4.10-100.00 134.00   92
 10  ω      3.00  28.00   0.50    0.27    --   -4.10 -99.00  30.00   50
 11  ω    -18.00  28.00   0.50    0.27    --   -4.10 -99.00 -60.00   92
 12  ω    -37.00  21.00   0.50    0.27    --   -4.10 100.00-120.00  116
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0322494000
_diffrn_orient_matrix_UB_12      -0.0347130000
_diffrn_orient_matrix_UB_13      0.0635239000
_diffrn_orient_matrix_UB_21      0.0704999000
_diffrn_orient_matrix_UB_22      -0.0035334000
_diffrn_orient_matrix_UB_23      0.0073922000
_diffrn_orient_matrix_UB_31      -0.0124123000
_diffrn_orient_matrix_UB_32      0.0636571000
_diffrn_orient_matrix_UB_33      0.0208598000
_diffrn_oxdiff_digest_hkl        
;
43296c155d773874f6a3bf9dc13d0bac8fd462
;
_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              'Mova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3570
_reflns_number_total             4113
_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 1.171.43.142a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.142a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.142a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.242
_refine_diff_density_min         -0.202
_refine_diff_density_rms         0.036
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4113
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0336
_refine_ls_restrained_S_all      1.051
_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)+(0.0428P)²+0.2530P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0889
_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:
 C1(H1), C22(H22)
2.b Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C21(H21A,H21B), C23(H23A,H23B), C24(H24A,H24B)
2.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16)
2.d Idealised Me refined as rotating group:
 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 0.06503(9) 0.19410(9) 0.13479(8) 0.0293(2) Uani 1 1 d . . . . .
O2 O 0.24096(9) 0.06592(8) 0.17713(7) 0.02457(19) Uani 1 1 d . . . . .
O3 O 0.27871(9) 0.48801(9) -0.03533(7) 0.0287(2) Uani 1 1 d . . . . .
O4 O 0.09050(9) 0.48864(8) 0.14913(7) 0.02450(19) Uani 1 1 d . . . . .
O5 O 0.35540(9) 0.57091(8) 0.19503(7) 0.02626(19) Uani 1 1 d . . . . .
O6 O 0.26712(10) 0.48042(8) 0.40321(7) 0.02594(19) Uani 1 1 d . . . . .
C1 C 0.42301(12) 0.29941(11) 0.14126(10) 0.0203(2) Uani 1 1 d . . . . .
H1 H 0.491129 0.375026 0.089772 0.024 Uiso 1 1 calc R U . . .
C2 C 0.30525(12) 0.32842(11) 0.26338(10) 0.0187(2) Uani 1 1 d . . . . .
C3 C 0.26427(12) 0.31561(11) 0.14701(10) 0.0197(2) Uani 1 1 d . . . . .
C4 C 0.18138(13) 0.19029(11) 0.15241(10) 0.0215(2) Uani 1 1 d . . . . .
C5 C 0.39105(13) 0.04952(12) 0.16241(10) 0.0231(2) Uani 1 1 d . . . . .
C6 C 0.48376(13) 0.16021(12) 0.14068(10) 0.0217(2) Uani 1 1 d . . . . .
C7 C 0.63334(14) 0.13502(13) 0.12027(11) 0.0275(3) Uani 1 1 d . . . . .
H7 H 0.698074 0.207580 0.105132 0.033 Uiso 1 1 calc R U . . .
C8 C 0.68654(15) 0.00285(14) 0.12231(12) 0.0334(3) Uani 1 1 d . . . . .
H8 H 0.786848 -0.012782 0.107267 0.040 Uiso 1 1 calc R U . . .
C9 C 0.59023(16) -0.10633(13) 0.14680(12) 0.0337(3) Uani 1 1 d . . . . .
H9 H 0.626035 -0.195072 0.149776 0.040 Uiso 1 1 calc R U . . .
C10 C 0.44130(15) -0.08379(12) 0.16678(11) 0.0288(3) Uani 1 1 d . . . . .
H10 H 0.376384 -0.156443 0.182786 0.035 Uiso 1 1 calc R U . . .
C11 C 0.25333(12) 0.22411(11) 0.38319(10) 0.0191(2) Uani 1 1 d . . . . .
C12 C 0.35447(13) 0.16484(12) 0.43986(11) 0.0237(2) Uani 1 1 d . . . . .
H12 H 0.455295 0.181723 0.398419 0.028 Uiso 1 1 calc R U . . .
C13 C 0.30486(15) 0.08052(12) 0.55823(11) 0.0296(3) Uani 1 1 d . . . . .
H13 H 0.372565 0.041511 0.596255 0.035 Uiso 1 1 calc R U . . .
C14 C 0.15520(15) 0.05429(12) 0.61983(11) 0.0295(3) Uani 1 1 d . . . . .
H14 H 0.122303 -0.001956 0.699320 0.035 Uiso 1 1 calc R U . . .
C15 C 0.05432(14) 0.11183(12) 0.56308(11) 0.0274(3) Uani 1 1 d . . . . .
H15 H -0.046336 0.093641 0.604192 0.033 Uiso 1 1 calc R U . . .
C16 C 0.10322(13) 0.19651(12) 0.44506(10) 0.0232(2) Uani 1 1 d . . . . .
H16 H 0.035220 0.235003 0.407159 0.028 Uiso 1 1 calc R U . . .
C17 C 0.21517(12) 0.44192(11) 0.07470(10) 0.0212(2) Uani 1 1 d . . . . .
C18 C 0.02607(15) 0.61057(13) 0.09514(12) 0.0302(3) Uani 1 1 d . . . . .
H18A H -0.076956 0.592678 0.108487 0.036 Uiso 1 1 calc R U . . .
H18B H 0.078214 0.633891 0.004542 0.036 Uiso 1 1 calc R U . . .
C19 C 0.03718(19) 0.72681(15) 0.15671(15) 0.0455(4) Uani 1 1 d . . . . .
H19A H -0.005981 0.806638 0.121589 0.068 Uiso 1 1 calc R U . . .
H19B H 0.139398 0.745293 0.141903 0.068 Uiso 1 1 calc R U . . .
H19C H -0.014716 0.703377 0.246298 0.068 Uiso 1 1 calc R U . . .
C20 C 0.31256(12) 0.47432(11) 0.28042(10) 0.0197(2) Uani 1 1 d . . . . .
C21 C 0.26412(14) 0.61538(12) 0.43547(11) 0.0267(3) Uani 1 1 d . . . . .
H21A H 0.192043 0.672476 0.407962 0.032 Uiso 1 1 calc R U . . .
H21B H 0.360588 0.659749 0.394829 0.032 Uiso 1 1 calc R U . . .
C22 C 0.22261(14) 0.59332(12) 0.57593(11) 0.0277(3) Uani 1 1 d . . . . .
H22 H 0.130243 0.542079 0.624921 0.033 Uiso 1 1 calc R U . . .
C23 C 0.34240(16) 0.57508(14) 0.63406(13) 0.0358(3) Uani 1 1 d . . . . .
H23A H 0.322710 0.512978 0.714712 0.043 Uiso 1 1 calc R U . . .
H23B H 0.444194 0.577227 0.577403 0.043 Uiso 1 1 calc R U . . .
C24 C 0.25778(15) 0.70610(14) 0.63247(13) 0.0351(3) Uani 1 1 d . . . . .
H24A H 0.308597 0.787123 0.574820 0.042 Uiso 1 1 calc R U . . .
H24B H 0.187104 0.722870 0.712138 0.042 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 C4 1.1997(14) . ?
O2 C4 1.3577(14) . ?
O2 C5 1.3988(14) . ?
O3 C17 1.2025(13) . ?
O4 C17 1.3312(14) . ?
O4 C18 1.4604(14) . ?
O5 C20 1.2054(13) . ?
O6 C20 1.3308(13) . ?
O6 C21 1.4561(13) . ?
C1 H1 0.9800 . ?
C1 C2 1.5331(14) . ?
C1 C3 1.5063(15) . ?
C1 C6 1.4757(15) . ?
C2 C3 1.5376(14) . ?
C2 C11 1.4975(14) . ?
C2 C20 1.5103(15) . ?
C3 C4 1.4955(16) . ?
C3 C17 1.5139(15) . ?
C5 C6 1.3848(17) . ?
C5 C10 1.3861(16) . ?
C6 C7 1.3931(17) . ?
C7 H7 0.9300 . ?
C7 C8 1.3855(18) . ?
C8 H8 0.9300 . ?
C8 C9 1.389(2) . ?
C9 H9 0.9300 . ?
C9 C10 1.3839(19) . ?
C10 H10 0.9300 . ?
C11 C12 1.3911(16) . ?
C11 C16 1.3884(16) . ?
C12 H12 0.9300 . ?
C12 C13 1.3876(16) . ?
C13 H13 0.9300 . ?
C13 C14 1.3822(19) . ?
C14 H14 0.9300 . ?
C14 C15 1.3847(19) . ?
C15 H15 0.9300 . ?
C15 C16 1.3860(16) . ?
C16 H16 0.9300 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.4902(19) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.4886(16) . ?
C22 H22 0.9800 . ?
C22 C23 1.5012(18) . ?
C22 C24 1.5027(17) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.5012(18) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?

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
C4 O2 C5 122.48(9) . . ?
C17 O4 C18 117.81(9) . . ?
C20 O6 C21 116.87(9) . . ?
C2 C1 H1 116.5 . . ?
C3 C1 H1 116.5 . . ?
C3 C1 C2 60.77(7) . . ?
C6 C1 H1 116.5 . . ?
C6 C1 C2 118.21(9) . . ?
C6 C1 C3 116.74(10) . . ?
C1 C2 C3 58.75(7) . . ?
C11 C2 C1 123.22(9) . . ?
C11 C2 C3 121.12(9) . . ?
C11 C2 C20 115.62(9) . . ?
C20 C2 C1 112.42(9) . . ?
C20 C2 C3 113.72(9) . . ?
C1 C3 C2 60.47(7) . . ?
C1 C3 C17 120.99(9) . . ?
C4 C3 C1 117.73(9) . . ?
C4 C3 C2 118.34(9) . . ?
C4 C3 C17 111.74(9) . . ?
C17 C3 C2 118.89(9) . . ?
O1 C4 O2 118.14(10) . . ?
O1 C4 C3 123.21(10) . . ?
O2 C4 C3 118.65(10) . . ?
C6 C5 O2 121.85(10) . . ?
C6 C5 C10 122.48(11) . . ?
C10 C5 O2 115.63(11) . . ?
C5 C6 C1 120.05(10) . . ?
C5 C6 C7 117.95(11) . . ?
C7 C6 C1 121.99(11) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.60(12) . . ?
C8 C7 H7 119.7 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.07(12) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.37(12) . . ?
C10 C9 H9 119.8 . . ?
C5 C10 H10 120.7 . . ?
C9 C10 C5 118.50(12) . . ?
C9 C10 H10 120.7 . . ?
C12 C11 C2 119.81(10) . . ?
C16 C11 C2 120.35(10) . . ?
C16 C11 C12 119.51(10) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 119.97(11) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.26(11) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 119.93(11) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.05(11) . . ?
C16 C15 H15 120.0 . . ?
C11 C16 H16 119.9 . . ?
C15 C16 C11 120.27(11) . . ?
C15 C16 H16 119.9 . . ?
O3 C17 O4 126.21(10) . . ?
O3 C17 C3 123.69(10) . . ?
O4 C17 C3 110.04(9) . . ?
O4 C18 H18A 109.7 . . ?
O4 C18 H18B 109.7 . . ?
O4 C18 C19 109.61(10) . . ?
H18A C18 H18B 108.2 . . ?
C19 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O5 C20 O6 124.96(10) . . ?
O5 C20 C2 124.83(10) . . ?
O6 C20 C2 110.20(9) . . ?
O6 C21 H21A 110.5 . . ?
O6 C21 H21B 110.5 . . ?
O6 C21 C22 106.35(9) . . ?
H21A C21 H21B 108.6 . . ?
C22 C21 H21A 110.5 . . ?
C22 C21 H21B 110.5 . . ?
C21 C22 H22 116.1 . . ?
C21 C22 C23 119.24(11) . . ?
C21 C22 C24 117.73(11) . . ?
C23 C22 H22 116.1 . . ?
C23 C22 C24 59.97(9) . . ?
C24 C22 H22 116.1 . . ?
C22 C23 H23A 117.8 . . ?
C22 C23 H23B 117.8 . . ?
H23A C23 H23B 114.9 . . ?
C24 C23 C22 60.07(8) . . ?
C24 C23 H23A 117.8 . . ?
C24 C23 H23B 117.8 . . ?
C22 C24 H24A 117.8 . . ?
C22 C24 H24B 117.8 . . ?
C23 C24 C22 59.97(9) . . ?
C23 C24 H24A 117.8 . . ?
C23 C24 H24B 117.8 . . ?
H24A C24 H24B 114.9 . . ?

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
_geom_hbond_publ_flag
C1 H1 O3 0.98 2.49 3.3840(14) 151.8 2_665 yes

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
O2 C5 C6 C1 4.24(15) . . . . ?
O2 C5 C6 C7 -176.55(9) . . . . ?
O2 C5 C10 C9 176.96(10) . . . . ?
O6 C21 C22 C23 91.39(13) . . . . ?
O6 C21 C22 C24 160.67(10) . . . . ?
C1 C2 C3 C4 107.58(11) . . . . ?
C1 C2 C3 C17 -111.31(11) . . . . ?
C1 C2 C11 C12 58.48(14) . . . . ?
C1 C2 C11 C16 -128.17(11) . . . . ?
C1 C2 C20 O5 29.13(15) . . . . ?
C1 C2 C20 O6 -149.88(9) . . . . ?
C1 C3 C4 O1 -166.41(10) . . . . ?
C1 C3 C4 O2 12.88(14) . . . . ?
C1 C3 C17 O3 48.62(16) . . . . ?
C1 C3 C17 O4 -133.96(10) . . . . ?
C1 C6 C7 C8 178.96(10) . . . . ?
C2 C1 C3 C4 -108.58(10) . . . . ?
C2 C1 C3 C17 107.91(11) . . . . ?
C2 C1 C6 C5 60.79(14) . . . . ?
C2 C1 C6 C7 -118.38(12) . . . . ?
C2 C3 C4 O1 124.02(12) . . . . ?
C2 C3 C4 O2 -56.69(13) . . . . ?
C2 C3 C17 O3 119.65(12) . . . . ?
C2 C3 C17 O4 -62.93(13) . . . . ?
C2 C11 C12 C13 172.43(10) . . . . ?
C2 C11 C16 C15 -172.62(10) . . . . ?
C3 C1 C2 C11 108.98(11) . . . . ?
C3 C1 C2 C20 -105.00(10) . . . . ?
C3 C1 C6 C5 -8.71(14) . . . . ?
C3 C1 C6 C7 172.12(10) . . . . ?
C3 C2 C11 C12 129.27(11) . . . . ?
C3 C2 C11 C16 -57.37(14) . . . . ?
C3 C2 C20 O5 -35.30(15) . . . . ?
C3 C2 C20 O6 145.69(9) . . . . ?
C4 O2 C5 C6 10.18(15) . . . . ?
C4 O2 C5 C10 -167.74(9) . . . . ?
C4 C3 C17 O3 -96.86(13) . . . . ?
C4 C3 C17 O4 80.56(11) . . . . ?
C5 O2 C4 O1 160.75(10) . . . . ?
C5 O2 C4 C3 -18.58(14) . . . . ?
C5 C6 C7 C8 -0.23(16) . . . . ?
C6 C1 C2 C3 -106.56(11) . . . . ?
C6 C1 C2 C11 2.42(15) . . . . ?
C6 C1 C2 C20 148.45(10) . . . . ?
C6 C1 C3 C2 108.94(10) . . . . ?
C6 C1 C3 C4 0.36(14) . . . . ?
C6 C1 C3 C17 -143.15(10) . . . . ?
C6 C5 C10 C9 -0.95(17) . . . . ?
C6 C7 C8 C9 -1.00(18) . . . . ?
C7 C8 C9 C10 1.29(18) . . . . ?
C8 C9 C10 C5 -0.33(17) . . . . ?
C10 C5 C6 C1 -177.98(10) . . . . ?
C10 C5 C6 C7 1.23(16) . . . . ?
C11 C2 C3 C1 -112.47(11) . . . . ?
C11 C2 C3 C4 -4.89(15) . . . . ?
C11 C2 C3 C17 136.22(10) . . . . ?
C11 C2 C20 O5 177.90(10) . . . . ?
C11 C2 C20 O6 -1.11(13) . . . . ?
C11 C12 C13 C14 0.47(18) . . . . ?
C12 C11 C16 C15 0.76(16) . . . . ?
C12 C13 C14 C15 0.28(18) . . . . ?
C13 C14 C15 C16 -0.50(18) . . . . ?
C14 C15 C16 C11 -0.02(17) . . . . ?
C16 C11 C12 C13 -0.98(16) . . . . ?
C17 O4 C18 C19 -112.07(13) . . . . ?
C17 C3 C4 O1 -19.69(15) . . . . ?
C17 C3 C4 O2 159.60(9) . . . . ?
C18 O4 C17 O3 -2.54(17) . . . . ?
C18 O4 C17 C3 -179.88(9) . . . . ?
C20 O6 C21 C22 -175.24(10) . . . . ?
C20 C2 C3 C1 102.74(10) . . . . ?
C20 C2 C3 C4 -149.67(10) . . . . ?
C20 C2 C3 C17 -8.56(14) . . . . ?
C20 C2 C11 C12 -86.57(12) . . . . ?
C20 C2 C11 C16 86.79(12) . . . . ?
C21 O6 C20 O5 2.48(16) . . . . ?
C21 O6 C20 C2 -178.50(9) . . . . ?
C21 C22 C23 C24 106.99(13) . . . . ?
C21 C22 C24 C23 -109.48(13) . . . . ?

_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 1.399
_oxdiff_exptl_absorpt_empirical_full_min 0.567
