# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2026

####################################################################### 
# 
# 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. 
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data_240313lu_lgpz082016_0m
_database_code_depnum_ccdc_archive 'CCDC 2394595'
loop_
_audit_author_name
_audit_author_address
'Shuai Zhang'
;Shandong Agricultural University
China
;
_audit_update_record             
;
2024-10-29 deposited with the CCDC.	2026-01-19 downloaded from the CCDC.
;
_audit_creation_date             2024-03-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H28 O4'
_chemical_formula_sum            'C22 H28 O4'
_chemical_formula_weight         356.44
_chemical_absolute_configuration ad
_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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   8.1152(16)
_cell_length_b                   10.943(2)
_cell_length_c                   10.445(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.743(7)
_cell_angle_gamma                90
_cell_volume                     926.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3650
_cell_measurement_temperature    293.00
_cell_measurement_theta_max      27.24
_cell_measurement_theta_min      2.70
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.990
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1105 before and 0.0574 after correction.
The Ratio of minimum to maximum transmission is 0.8462.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             384
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_av_unetI/netI     0.0533
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8637
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.414
_diffrn_reflns_theta_min         1.952
_diffrn_ambient_temperature      293.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON II'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   TXS
_diffrn_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_type              'Rotaing Anode'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.831
_reflns_Friedel_fraction_full    0.915
_reflns_Friedel_fraction_max     0.917
_reflns_number_gt                3366
_reflns_number_total             4056
_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       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX5 V2023.9-2 (Bruker, 2023)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_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         0.188
_refine_diff_density_min         -0.145
_refine_diff_density_rms         0.036
_refine_ls_abs_structure_details 
;
 Flack x determined using 1230 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         4056
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0465
_refine_ls_restrained_S_all      1.058
_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)+(0.0497P)²+0.0971P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1157
_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:
 C7(H7), C12(H12), C13(H13)
2.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B), C10(H10A,H10B), C11(H11A,H11B), C14(H14A,H14B),
 C15(H15A,H15B), C19(H19A,H19B), C20(H20A,H20B)
2.c Aromatic/amide H refined with riding coordinates:
 C22(H22)
2.d X=CH2 refined with riding coordinates:
 C2(H2A,H2B)
2.e Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C18(H18A,H18B,H18C)
;
_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 0.7893(3) 0.6860(2) 1.0322(2) 0.0516(6) Uani 1 1 d . . . . .
O2 O 0.7262(3) 0.6175(3) 1.2263(2) 0.0605(7) Uani 1 1 d . . . . .
O3 O 0.7715(3) 0.48672(19) 1.06632(18) 0.0421(5) Uani 1 1 d . . . . .
O4 O 0.1493(3) 0.5569(3) 0.1287(2) 0.0669(8) Uani 1 1 d . . . . .
C1 C 0.7593(4) 0.5972(3) 1.1193(3) 0.0439(7) Uani 1 1 d . . . . .
C2 C 0.9151(5) 0.6961(4) 0.8338(3) 0.0639(11) Uani 1 1 d . . . . .
H2A H 0.933621 0.779200 0.846602 0.077 Uiso 1 1 calc R U . . .
H2B H 0.948943 0.658571 0.759602 0.077 Uiso 1 1 calc R U . . .
C3 C 0.8409(4) 0.6317(3) 0.9206(3) 0.0430(7) Uani 1 1 d . . . . .
C4 C 0.8003(3) 0.4978(3) 0.9295(2) 0.0354(6) Uani 1 1 d . . . . .
C5 C 0.9402(4) 0.4134(3) 0.8883(3) 0.0459(7) Uani 1 1 d . . . . .
H5A H 0.950538 0.342903 0.944479 0.055 Uiso 1 1 calc R U . . .
H5B H 1.044497 0.456767 0.891053 0.055 Uiso 1 1 calc R U . . .
C6 C 0.8912(4) 0.3734(3) 0.7501(3) 0.0447(7) Uani 1 1 d . . . . .
H6A H 0.975286 0.396755 0.691808 0.054 Uiso 1 1 calc R U . . .
H6B H 0.875613 0.285603 0.745384 0.054 Uiso 1 1 calc R U . . .
C7 C 0.7291(3) 0.4405(3) 0.7171(3) 0.0352(6) Uani 1 1 d . . . . .
H7 H 0.759336 0.523413 0.691561 0.042 Uiso 1 1 calc R U . . .
C8 C 0.6475(3) 0.4531(2) 0.8472(2) 0.0350(6) Uani 1 1 d . . . . .
C9 C 0.5919(4) 0.3291(3) 0.9007(3) 0.0458(7) Uani 1 1 d . . . . .
H9A H 0.540511 0.341890 0.980513 0.069 Uiso 1 1 calc R U . . .
H9B H 0.686058 0.276827 0.914361 0.069 Uiso 1 1 calc R U . . .
H9C H 0.514462 0.291549 0.840490 0.069 Uiso 1 1 calc R U . . .
C10 C 0.5026(4) 0.5408(3) 0.8319(3) 0.0413(7) Uani 1 1 d . . . . .
H10A H 0.541915 0.621299 0.809299 0.050 Uiso 1 1 calc R U . . .
H10B H 0.448126 0.547311 0.912240 0.050 Uiso 1 1 calc R U . . .
C11 C 0.3794(4) 0.4941(3) 0.7263(3) 0.0436(7) Uani 1 1 d . . . . .
H11A H 0.290561 0.552925 0.714428 0.052 Uiso 1 1 calc R U . . .
H11B H 0.331917 0.417840 0.754090 0.052 Uiso 1 1 calc R U . . .
C12 C 0.4592(3) 0.4735(3) 0.5969(2) 0.0335(6) Uani 1 1 d . . . . .
H12 H 0.498848 0.553786 0.570405 0.040 Uiso 1 1 calc R U . . .
C13 C 0.6133(4) 0.3910(3) 0.6096(2) 0.0348(6) Uani 1 1 d . . . . .
H13 H 0.580245 0.307381 0.630053 0.042 Uiso 1 1 calc R U . . .
C14 C 0.6997(4) 0.3917(3) 0.4826(3) 0.0407(7) Uani 1 1 d . . . . .
H14A H 0.739864 0.473481 0.466330 0.049 Uiso 1 1 calc R U . . .
H14B H 0.794042 0.337323 0.489127 0.049 Uiso 1 1 calc R U . . .
C15 C 0.5849(4) 0.3517(3) 0.3707(3) 0.0464(8) Uani 1 1 d . . . . .
H15A H 0.640004 0.364045 0.291332 0.056 Uiso 1 1 calc R U . . .
H15B H 0.562373 0.265079 0.378673 0.056 Uiso 1 1 calc R U . . .
C16 C 0.4252(4) 0.4200(3) 0.3643(3) 0.0393(7) Uani 1 1 d . . . . .
C17 C 0.3337(4) 0.4308(2) 0.4877(2) 0.0352(6) Uani 1 1 d . . . . .
C18 C 0.2588(4) 0.3044(3) 0.5176(3) 0.0439(7) Uani 1 1 d . . . . .
H18A H 0.344576 0.243935 0.521582 0.066 Uiso 1 1 calc R U . . .
H18B H 0.177928 0.283078 0.451207 0.066 Uiso 1 1 calc R U . . .
H18C H 0.207349 0.307826 0.598359 0.066 Uiso 1 1 calc R U . . .
C19 C 0.1973(4) 0.5270(3) 0.4713(3) 0.0429(7) Uani 1 1 d . . . . .
H19A H 0.125106 0.520278 0.542312 0.051 Uiso 1 1 calc R U . . .
H19B H 0.247179 0.607529 0.475093 0.051 Uiso 1 1 calc R U . . .
C20 C 0.0943(4) 0.5156(3) 0.3467(3) 0.0505(8) Uani 1 1 d . . . . .
H20A H 0.032918 0.439553 0.346916 0.061 Uiso 1 1 calc R U . . .
H20B H 0.015533 0.582246 0.340426 0.061 Uiso 1 1 calc R U . . .
C21 C 0.1994(4) 0.5182(3) 0.2330(3) 0.0487(8) Uani 1 1 d . . . . .
C22 C 0.3633(4) 0.4649(3) 0.2516(3) 0.0483(8) Uani 1 1 d . . . . .
H22 H 0.429484 0.461661 0.181416 0.058 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 C1 1.361(4) . ?
O1 C3 1.390(4) . ?
O2 C1 1.184(4) . ?
O3 C1 1.335(4) . ?
O3 C4 1.464(3) . ?
O4 C21 1.220(4) . ?
C2 H2A 0.9300 . ?
C2 H2B 0.9300 . ?
C2 C3 1.317(5) . ?
C3 C4 1.506(4) . ?
C4 C5 1.541(4) . ?
C4 C8 1.553(4) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.543(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.532(4) . ?
C7 H7 0.9800 . ?
C7 C8 1.546(4) . ?
C7 C13 1.529(4) . ?
C8 C9 1.543(4) . ?
C8 C10 1.521(4) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.539(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.543(4) . ?
C12 H12 0.9800 . ?
C12 C13 1.543(4) . ?
C12 C17 1.563(3) . ?
C13 H13 0.9800 . ?
C13 C14 1.529(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.523(4) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.495(5) . ?
C16 C17 1.523(4) . ?
C16 C22 1.350(4) . ?
C17 C18 1.549(4) . ?
C17 C19 1.532(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.517(4) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.495(5) . ?
C21 C22 1.457(5) . ?
C22 H22 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
C1 O1 C3 109.0(2) . . ?
C1 O3 C4 110.4(2) . . ?
O2 C1 O1 123.6(3) . . ?
O2 C1 O3 125.9(3) . . ?
O3 C1 O1 110.5(3) . . ?
H2A C2 H2B 120.0 . . ?
C3 C2 H2A 120.0 . . ?
C3 C2 H2B 120.0 . . ?
O1 C3 C4 106.8(3) . . ?
C2 C3 O1 121.0(3) . . ?
C2 C3 C4 132.2(3) . . ?
O3 C4 C3 100.7(2) . . ?
O3 C4 C5 112.1(2) . . ?
O3 C4 C8 110.7(2) . . ?
C3 C4 C5 113.6(3) . . ?
C3 C4 C8 116.4(2) . . ?
C5 C4 C8 103.7(2) . . ?
C4 C5 H5A 110.6 . . ?
C4 C5 H5B 110.6 . . ?
C4 C5 C6 105.7(2) . . ?
H5A C5 H5B 108.7 . . ?
C6 C5 H5A 110.6 . . ?
C6 C5 H5B 110.6 . . ?
C5 C6 H6A 110.8 . . ?
C5 C6 H6B 110.8 . . ?
H6A C6 H6B 108.9 . . ?
C7 C6 C5 104.7(2) . . ?
C7 C6 H6A 110.8 . . ?
C7 C6 H6B 110.8 . . ?
C6 C7 H7 106.3 . . ?
C6 C7 C8 104.1(2) . . ?
C8 C7 H7 106.3 . . ?
C13 C7 C6 119.1(2) . . ?
C13 C7 H7 106.3 . . ?
C13 C7 C8 113.8(2) . . ?
C7 C8 C4 98.6(2) . . ?
C9 C8 C4 108.5(2) . . ?
C9 C8 C7 112.7(2) . . ?
C10 C8 C4 116.9(2) . . ?
C10 C8 C7 108.9(2) . . ?
C10 C8 C9 110.8(3) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.7 . . ?
C8 C10 H10B 109.7 . . ?
C8 C10 C11 109.8(2) . . ?
H10A C10 H10B 108.2 . . ?
C11 C10 H10A 109.7 . . ?
C11 C10 H10B 109.7 . . ?
C10 C11 H11A 109.0 . . ?
C10 C11 H11B 109.0 . . ?
C10 C11 C12 113.0(2) . . ?
H11A C11 H11B 107.8 . . ?
C12 C11 H11A 109.0 . . ?
C12 C11 H11B 109.0 . . ?
C11 C12 H12 105.9 . . ?
C11 C12 C17 113.4(2) . . ?
C13 C12 C11 112.5(2) . . ?
C13 C12 H12 105.9 . . ?
C13 C12 C17 112.6(2) . . ?
C17 C12 H12 105.9 . . ?
C7 C13 C12 108.8(2) . . ?
C7 C13 H13 109.6 . . ?
C7 C13 C14 110.1(2) . . ?
C12 C13 H13 109.6 . . ?
C14 C13 C12 109.0(2) . . ?
C14 C13 H13 109.6 . . ?
C13 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C15 C14 C13 112.0(3) . . ?
C15 C14 H14A 109.2 . . ?
C15 C14 H14B 109.2 . . ?
C14 C15 H15A 109.0 . . ?
C14 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
C16 C15 C14 112.8(3) . . ?
C16 C15 H15A 109.0 . . ?
C16 C15 H15B 109.0 . . ?
C15 C16 C17 117.2(2) . . ?
C22 C16 C15 120.5(3) . . ?
C22 C16 C17 122.3(3) . . ?
C16 C17 C12 108.3(2) . . ?
C16 C17 C18 108.3(2) . . ?
C16 C17 C19 109.7(2) . . ?
C18 C17 C12 111.6(2) . . ?
C19 C17 C12 108.6(2) . . ?
C19 C17 C18 110.3(3) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 108.8 . . ?
C17 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
C20 C19 C17 113.9(3) . . ?
C20 C19 H19A 108.8 . . ?
C20 C19 H19B 108.8 . . ?
C19 C20 H20A 109.3 . . ?
C19 C20 H20B 109.3 . . ?
H20A C20 H20B 108.0 . . ?
C21 C20 C19 111.6(3) . . ?
C21 C20 H20A 109.3 . . ?
C21 C20 H20B 109.3 . . ?
O4 C21 C20 122.5(3) . . ?
O4 C21 C22 121.4(3) . . ?
C22 C21 C20 116.0(3) . . ?
C16 C22 C21 124.1(3) . . ?
C16 C22 H22 117.9 . . ?
C21 C22 H22 117.9 . . ?

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 C3 C4 O3 -15.8(3) . . . . ?
O1 C3 C4 C5 -135.9(2) . . . . ?
O1 C3 C4 C8 103.8(3) . . . . ?
O3 C4 C5 C6 146.4(2) . . . . ?
O3 C4 C8 C7 -164.8(2) . . . . ?
O3 C4 C8 C9 -47.4(3) . . . . ?
O3 C4 C8 C10 78.7(3) . . . . ?
O4 C21 C22 C16 -179.6(3) . . . . ?
C1 O1 C3 C2 -163.5(3) . . . . ?
C1 O1 C3 C4 14.4(3) . . . . ?
C1 O3 C4 C3 12.4(3) . . . . ?
C1 O3 C4 C5 133.5(3) . . . . ?
C1 O3 C4 C8 -111.3(3) . . . . ?
C2 C3 C4 O3 161.7(4) . . . . ?
C2 C3 C4 C5 41.7(5) . . . . ?
C2 C3 C4 C8 -78.6(5) . . . . ?
C3 O1 C1 O2 173.9(3) . . . . ?
C3 O1 C1 O3 -6.6(3) . . . . ?
C3 C4 C5 C6 -100.3(3) . . . . ?
C3 C4 C8 C7 81.0(3) . . . . ?
C3 C4 C8 C9 -161.5(3) . . . . ?
C3 C4 C8 C10 -35.4(4) . . . . ?
C4 O3 C1 O1 -4.4(3) . . . . ?
C4 O3 C1 O2 175.1(3) . . . . ?
C4 C5 C6 C7 2.0(3) . . . . ?
C4 C8 C10 C11 168.1(2) . . . . ?
C5 C4 C8 C7 -44.4(3) . . . . ?
C5 C4 C8 C9 73.0(3) . . . . ?
C5 C4 C8 C10 -160.9(3) . . . . ?
C5 C6 C7 C8 -30.5(3) . . . . ?
C5 C6 C7 C13 -158.5(3) . . . . ?
C6 C7 C8 C4 46.2(3) . . . . ?
C6 C7 C8 C9 -68.1(3) . . . . ?
C6 C7 C8 C10 168.6(2) . . . . ?
C6 C7 C13 C12 179.3(2) . . . . ?
C6 C7 C13 C14 -61.3(3) . . . . ?
C7 C8 C10 C11 57.5(3) . . . . ?
C7 C13 C14 C15 -175.9(3) . . . . ?
C8 C4 C5 C6 26.9(3) . . . . ?
C8 C7 C13 C12 55.9(3) . . . . ?
C8 C7 C13 C14 175.3(2) . . . . ?
C8 C10 C11 C12 -55.8(4) . . . . ?
C9 C8 C10 C11 -67.0(3) . . . . ?
C10 C11 C12 C13 52.9(4) . . . . ?
C10 C11 C12 C17 -177.8(3) . . . . ?
C11 C12 C13 C7 -51.0(3) . . . . ?
C11 C12 C13 C14 -171.1(2) . . . . ?
C11 C12 C17 C16 177.1(2) . . . . ?
C11 C12 C17 C18 -63.8(3) . . . . ?
C11 C12 C17 C19 58.1(3) . . . . ?
C12 C13 C14 C15 -56.6(3) . . . . ?
C12 C17 C19 C20 164.1(3) . . . . ?
C13 C7 C8 C4 177.4(2) . . . . ?
C13 C7 C8 C9 63.1(3) . . . . ?
C13 C7 C8 C10 -60.2(3) . . . . ?
C13 C12 C17 C16 -53.7(3) . . . . ?
C13 C12 C17 C18 65.4(3) . . . . ?
C13 C12 C17 C19 -172.7(2) . . . . ?
C13 C14 C15 C16 51.2(4) . . . . ?
C14 C15 C16 C17 -48.4(4) . . . . ?
C14 C15 C16 C22 134.4(3) . . . . ?
C15 C16 C17 C12 48.5(3) . . . . ?
C15 C16 C17 C18 -72.7(3) . . . . ?
C15 C16 C17 C19 166.8(3) . . . . ?
C15 C16 C22 C21 171.6(3) . . . . ?
C16 C17 C19 C20 46.0(3) . . . . ?
C17 C12 C13 C7 179.4(2) . . . . ?
C17 C12 C13 C14 59.2(3) . . . . ?
C17 C16 C22 C21 -5.5(5) . . . . ?
C17 C19 C20 C21 -55.3(4) . . . . ?
C18 C17 C19 C20 -73.2(3) . . . . ?
C19 C20 C21 O4 -151.0(3) . . . . ?
C19 C20 C21 C22 32.6(4) . . . . ?
C20 C21 C22 C16 -3.1(5) . . . . ?
C22 C16 C17 C12 -134.4(3) . . . . ?
C22 C16 C17 C18 104.4(3) . . . . ?
C22 C16 C17 C19 -16.0(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
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