# Supplementary Information (SI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 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_cu_240605zsk_0ma
_database_code_depnum_ccdc_archive 'CCDC 2443606'
loop_
_audit_author_name
_audit_author_address
'Meilin Zhu'
;Bengbu Medical University
China
;
_audit_update_record             
;
2025-04-14 deposited with the CCDC.	2026-05-20 downloaded from the CCDC.
;
_audit_creation_date             2024-06-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        'H6-4-2-1-1 and H6-4-2-1-2'
_chemical_formula_moiety         'C14 H18 O4'
_chemical_formula_sum            'C14 H18 O4'
_chemical_formula_weight         250.28
_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 0.0181 0.0091 '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 0.0492 0.0322 '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                   8.5056(3)
_cell_length_b                   39.6740(13)
_cell_length_c                   7.9424(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.882(2)
_cell_angle_gamma                90
_cell_volume                     2670.45(16)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    5860
_cell_measurement_temperature    303.00
_cell_measurement_theta_max      64.66
_cell_measurement_theta_min      2.23
_shelx_estimated_absorpt_T_max   0.929
_shelx_estimated_absorpt_T_min   0.865
_exptl_absorpt_coefficient_mu    0.745
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6160
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1301 before and 0.0568 after correction.
The Ratio of minimum to maximum transmission is 0.8180.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_av_unetI/netI     0.0381
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            19445
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.392
_diffrn_reflns_theta_min         2.227
_diffrn_ambient_temperature      303.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3381
_reflns_number_total             4745
_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 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.227
_refine_diff_density_min         -0.214
_refine_diff_density_rms         0.040
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         4745
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0674
_refine_ls_restrained_S_all      1.077
_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)+(0.0815P)²+1.5960P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1850
_refine_ls_wR_factor_ref         0.2007
_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, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C24(H24), C4(H4A), C26(H26), C2(H2)
2.b Secondary CH2 refined with riding coordinates:
 C23(H23A,H23B), C25(H25A,H25B), C5(H5A,H5B), C3(H3A,H3B)
2.c Aromatic/amide H refined with riding coordinates:
 C21(H21), C11(H11)
2.d Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C22(H22A,H22B,H22C), C14(H14A,H14B,
 H14C), C27(H27A,H27B,H27C), C1(H1A,H1B,H1C)
2.e Idealised tetrahedral OH refined as rotating group:
 O5(H5), O1(H1), O4(H4), O8(H8)
;
_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
O7 O 0.2475(3) 0.33732(6) 0.0525(3) 0.0727(6) Uani 1 1 d . . . . .
O2 O 0.7871(3) 0.33715(5) 1.1144(3) 0.0736(6) Uani 1 1 d . . . . .
O5 O -0.0202(3) 0.39749(6) -0.2933(2) 0.0743(7) Uani 1 1 d . . . . .
H5 H 0.033235 0.380814 -0.310015 0.112 Uiso 1 1 calc R U . . .
O3 O 0.8403(3) 0.36307(6) 1.3540(3) 0.0784(7) Uani 1 1 d . . . . .
O1 O 0.5582(3) 0.28472(6) 0.6960(3) 0.0800(7) Uani 1 1 d . . . . .
H1 H 0.526372 0.276072 0.605672 0.120 Uiso 1 1 calc R U . . .
O4 O 0.7114(3) 0.41967(6) 1.4214(3) 0.0797(7) Uani 1 1 d . . . . .
H4 H 0.770099 0.403418 1.438740 0.119 Uiso 1 1 calc R U . . .
O6 O 0.1702(3) 0.34818(6) -0.2112(3) 0.0834(7) Uani 1 1 d . . . . .
O8 O 0.4462(4) 0.26584(7) 0.3863(3) 0.1017(10) Uani 1 1 d . . . . .
H8 H 0.483415 0.250341 0.334116 0.153 Uiso 1 1 calc R U . . .
C7 C 0.6631(3) 0.39093(7) 1.1542(3) 0.0537(7) Uani 1 1 d . . . . .
C18 C 0.1009(4) 0.38845(8) -0.0104(4) 0.0579(7) Uani 1 1 d . . . . .
C19 C 0.1315(4) 0.40042(8) 0.1559(3) 0.0568(7) Uani 1 1 d . . . . .
C6 C 0.5916(4) 0.39146(7) 0.9881(4) 0.0567(7) Uani 1 1 d . . . . .
C8 C 0.7662(4) 0.36339(8) 1.2151(4) 0.0602(8) Uani 1 1 d . . . . .
C17 C 0.0117(4) 0.40807(8) -0.1307(4) 0.0598(8) Uani 1 1 d . . . . .
C20 C 0.0727(4) 0.43146(8) 0.2005(4) 0.0614(8) Uani 1 1 d . . . . .
C28 C 0.1710(4) 0.35706(8) -0.0645(4) 0.0645(8) Uani 1 1 d . . . . .
C9 C 0.6436(4) 0.41838(8) 1.2617(4) 0.0597(8) Uani 1 1 d . . . . .
C12 C 0.4982(4) 0.41859(8) 0.9311(4) 0.0625(8) Uani 1 1 d . . . . .
C21 C -0.0166(4) 0.44971(8) 0.0787(4) 0.0642(8) Uani 1 1 d . . . . .
H21 H -0.056546 0.470425 0.109459 0.077 Uiso 1 1 calc R U . . .
C16 C -0.0500(4) 0.43900(8) -0.0860(4) 0.0620(8) Uani 1 1 d . . . . .
C24 C 0.2159(4) 0.34186(8) 0.2298(4) 0.0637(8) Uani 1 1 d . . . . .
H24 H 0.108322 0.334251 0.244353 0.076 Uiso 1 1 calc R U . . .
C23 C 0.2306(4) 0.37854(8) 0.2784(4) 0.0667(8) Uani 1 1 d . . . . .
H23A H 0.197072 0.381586 0.391160 0.080 Uiso 1 1 calc R U . . .
H23B H 0.340173 0.385390 0.280186 0.080 Uiso 1 1 calc R U . . .
C10 C 0.5520(4) 0.44590(8) 1.2051(4) 0.0689(9) Uani 1 1 d . . . . .
C25 C 0.3313(4) 0.31924(9) 0.3316(4) 0.0737(9) Uani 1 1 d . . . . .
H25A H 0.310742 0.320751 0.449594 0.088 Uiso 1 1 calc R U . . .
H25B H 0.437221 0.327671 0.321821 0.088 Uiso 1 1 calc R U . . .
C5 C 0.6303(4) 0.36389(8) 0.8708(4) 0.0695(9) Uani 1 1 d . . . . .
H5A H 0.537386 0.359060 0.795212 0.083 Uiso 1 1 calc R U . . .
H5B H 0.712101 0.371764 0.802453 0.083 Uiso 1 1 calc R U . . .
C4 C 0.6845(5) 0.33210(8) 0.9567(4) 0.0732(9) Uani 1 1 d . . . . .
H4A H 0.590327 0.319980 0.986438 0.088 Uiso 1 1 calc R U . . .
C11 C 0.4804(4) 0.44492(8) 1.0432(4) 0.0702(9) Uani 1 1 d . . . . .
H11 H 0.416336 0.462929 1.006707 0.084 Uiso 1 1 calc R U . . .
C26 C 0.3258(4) 0.28242(9) 0.2797(4) 0.0739(10) Uani 1 1 d . . . . .
H26 H 0.351940 0.280684 0.162226 0.089 Uiso 1 1 calc R U . . .
C2 C 0.7036(5) 0.30104(10) 0.6786(5) 0.0818(10) Uani 1 1 d . . . . .
H2 H 0.681074 0.322604 0.621308 0.098 Uiso 1 1 calc R U . . .
C3 C 0.7764(4) 0.30857(10) 0.8561(5) 0.0846(11) Uani 1 1 d . . . . .
H3A H 0.789798 0.287464 0.917301 0.102 Uiso 1 1 calc R U . . .
H3B H 0.880576 0.318070 0.847911 0.102 Uiso 1 1 calc R U . . .
C13 C 0.4213(4) 0.42047(10) 0.7535(4) 0.0806(10) Uani 1 1 d . . . . .
H13A H 0.501243 0.421953 0.675393 0.121 Uiso 1 1 calc R U . . .
H13B H 0.354891 0.440039 0.742126 0.121 Uiso 1 1 calc R U . . .
H13C H 0.358842 0.400618 0.729598 0.121 Uiso 1 1 calc R U . . .
C15 C -0.1487(5) 0.45979(9) -0.2145(4) 0.0802(10) Uani 1 1 d . . . . .
H15A H -0.082622 0.468697 -0.296017 0.120 Uiso 1 1 calc R U . . .
H15B H -0.196936 0.478032 -0.158428 0.120 Uiso 1 1 calc R U . . .
H15C H -0.229188 0.445865 -0.270715 0.120 Uiso 1 1 calc R U . . .
C22 C 0.1063(5) 0.44577(9) 0.3770(4) 0.0807(10) Uani 1 1 d . . . . .
H22A H 0.058496 0.431658 0.456531 0.121 Uiso 1 1 calc R U . . .
H22B H 0.063274 0.468104 0.380886 0.121 Uiso 1 1 calc R U . . .
H22C H 0.218197 0.446609 0.405183 0.121 Uiso 1 1 calc R U . . .
C14 C 0.5370(6) 0.47581(10) 1.3212(5) 0.0974(13) Uani 1 1 d . . . . .
H14A H 0.494512 0.468469 1.423141 0.146 Uiso 1 1 calc R U . . .
H14B H 0.467938 0.492259 1.265695 0.146 Uiso 1 1 calc R U . . .
H14C H 0.639193 0.485643 1.348199 0.146 Uiso 1 1 calc R U . . .
C27 C 0.1710(6) 0.26578(11) 0.2953(7) 0.1183(17) Uani 1 1 d . . . . .
H27A H 0.179273 0.242222 0.269949 0.178 Uiso 1 1 calc R U . . .
H27B H 0.092359 0.275939 0.217407 0.178 Uiso 1 1 calc R U . . .
H27C H 0.141386 0.268449 0.408483 0.178 Uiso 1 1 calc R U . . .
C1 C 0.8138(6) 0.28152(15) 0.5770(7) 0.131(2) Uani 1 1 d . . . . .
H1A H 0.835865 0.260024 0.629305 0.197 Uiso 1 1 calc R U . . .
H1B H 0.910478 0.293852 0.572337 0.197 Uiso 1 1 calc R U . . .
H1C H 0.765598 0.278208 0.464511 0.197 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
O7 C28 1.340(4) . ?
O7 C24 1.467(4) . ?
O2 C8 1.334(4) . ?
O2 C4 1.478(4) . ?
O5 H5 0.8200 . ?
O5 C17 1.363(3) . ?
O3 C8 1.223(4) . ?
O1 H1 0.8200 . ?
O1 C2 1.413(4) . ?
O4 H4 0.8200 . ?
O4 C9 1.349(4) . ?
O6 C28 1.217(4) . ?
O8 H8 0.8200 . ?
O8 C26 1.432(4) . ?
C7 C6 1.405(4) . ?
C7 C8 1.457(4) . ?
C7 C9 1.402(4) . ?
C18 C19 1.407(4) . ?
C18 C17 1.404(4) . ?
C18 C28 1.461(5) . ?
C19 C20 1.386(4) . ?
C19 C23 1.507(4) . ?
C6 C12 1.390(4) . ?
C6 C5 1.491(4) . ?
C17 C16 1.393(5) . ?
C20 C21 1.383(4) . ?
C20 C22 1.517(4) . ?
C9 C10 1.393(5) . ?
C12 C11 1.389(5) . ?
C12 C13 1.506(4) . ?
C21 H21 0.9300 . ?
C21 C16 1.382(4) . ?
C16 C15 1.510(4) . ?
C24 H24 0.9800 . ?
C24 C23 1.508(5) . ?
C24 C25 1.512(4) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C10 C11 1.375(5) . ?
C10 C14 1.514(5) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.517(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C4 1.489(5) . ?
C4 H4A 0.9800 . ?
C4 C3 1.492(5) . ?
C11 H11 0.9300 . ?
C26 H26 0.9800 . ?
C26 C27 1.488(6) . ?
C2 H2 0.9800 . ?
C2 C3 1.521(5) . ?
C2 C1 1.503(6) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?

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
C28 O7 C24 118.4(2) . . ?
C8 O2 C4 121.0(2) . . ?
C17 O5 H5 109.5 . . ?
C2 O1 H1 109.5 . . ?
C9 O4 H4 109.5 . . ?
C26 O8 H8 109.5 . . ?
C6 C7 C8 121.5(3) . . ?
C9 C7 C6 119.7(3) . . ?
C9 C7 C8 118.6(3) . . ?
C19 C18 C28 121.1(3) . . ?
C17 C18 C19 119.8(3) . . ?
C17 C18 C28 118.9(3) . . ?
C18 C19 C23 117.4(3) . . ?
C20 C19 C18 119.8(3) . . ?
C20 C19 C23 122.7(3) . . ?
C7 C6 C5 118.3(3) . . ?
C12 C6 C7 120.4(3) . . ?
C12 C6 C5 121.0(3) . . ?
O2 C8 C7 119.5(3) . . ?
O3 C8 O2 116.6(3) . . ?
O3 C8 C7 123.8(3) . . ?
O5 C17 C18 121.8(3) . . ?
O5 C17 C16 117.6(3) . . ?
C16 C17 C18 120.6(3) . . ?
C19 C20 C22 121.7(3) . . ?
C21 C20 C19 118.4(3) . . ?
C21 C20 C22 120.0(3) . . ?
O7 C28 C18 118.7(3) . . ?
O6 C28 O7 117.3(3) . . ?
O6 C28 C18 124.0(3) . . ?
O4 C9 C7 122.6(3) . . ?
O4 C9 C10 117.1(3) . . ?
C10 C9 C7 120.3(3) . . ?
C6 C12 C13 122.3(3) . . ?
C11 C12 C6 117.6(3) . . ?
C11 C12 C13 120.1(3) . . ?
C20 C21 H21 118.0 . . ?
C16 C21 C20 123.9(3) . . ?
C16 C21 H21 118.0 . . ?
C17 C16 C15 120.6(3) . . ?
C21 C16 C17 117.4(3) . . ?
C21 C16 C15 122.0(3) . . ?
O7 C24 H24 108.9 . . ?
O7 C24 C23 110.3(3) . . ?
O7 C24 C25 106.1(3) . . ?
C23 C24 H24 108.9 . . ?
C23 C24 C25 113.6(3) . . ?
C25 C24 H24 108.9 . . ?
C19 C23 C24 111.2(3) . . ?
C19 C23 H23A 109.4 . . ?
C19 C23 H23B 109.4 . . ?
C24 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C9 C10 C14 119.4(3) . . ?
C11 C10 C9 118.1(3) . . ?
C11 C10 C14 122.5(3) . . ?
C24 C25 H25A 108.5 . . ?
C24 C25 H25B 108.5 . . ?
C24 C25 C26 115.0(3) . . ?
H25A C25 H25B 107.5 . . ?
C26 C25 H25A 108.5 . . ?
C26 C25 H25B 108.5 . . ?
C6 C5 H5A 108.7 . . ?
C6 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C4 C5 C6 114.3(3) . . ?
C4 C5 H5A 108.7 . . ?
C4 C5 H5B 108.7 . . ?
O2 C4 C5 114.3(3) . . ?
O2 C4 H4A 107.4 . . ?
O2 C4 C3 103.9(3) . . ?
C5 C4 H4A 107.4 . . ?
C5 C4 C3 116.1(3) . . ?
C3 C4 H4A 107.4 . . ?
C12 C11 H11 118.1 . . ?
C10 C11 C12 123.8(3) . . ?
C10 C11 H11 118.1 . . ?
O8 C26 C25 106.1(3) . . ?
O8 C26 H26 108.8 . . ?
O8 C26 C27 109.9(3) . . ?
C25 C26 H26 108.8 . . ?
C27 C26 C25 114.3(3) . . ?
C27 C26 H26 108.8 . . ?
O1 C2 H2 107.9 . . ?
O1 C2 C3 106.9(3) . . ?
O1 C2 C1 114.0(3) . . ?
C3 C2 H2 107.9 . . ?
C1 C2 H2 107.9 . . ?
C1 C2 C3 112.1(4) . . ?
C4 C3 C2 115.4(3) . . ?
C4 C3 H3A 108.4 . . ?
C4 C3 H3B 108.4 . . ?
C2 C3 H3A 108.4 . . ?
C2 C3 H3B 108.4 . . ?
H3A C3 H3B 107.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 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
O7 C24 C23 C19 52.2(4) . . . . ?
O7 C24 C25 C26 -55.6(4) . . . . ?
O2 C4 C3 C2 -175.2(3) . . . . ?
O5 C17 C16 C21 -179.6(3) . . . . ?
O5 C17 C16 C15 0.0(5) . . . . ?
O1 C2 C3 C4 -63.0(4) . . . . ?
O4 C9 C10 C11 -179.3(3) . . . . ?
O4 C9 C10 C14 1.8(5) . . . . ?
C7 C6 C12 C11 0.7(5) . . . . ?
C7 C6 C12 C13 179.1(3) . . . . ?
C7 C6 C5 C4 24.4(4) . . . . ?
C7 C9 C10 C11 1.0(5) . . . . ?
C7 C9 C10 C14 -177.9(3) . . . . ?
C18 C19 C20 C21 0.7(4) . . . . ?
C18 C19 C20 C22 -178.4(3) . . . . ?
C18 C19 C23 C24 -27.1(4) . . . . ?
C18 C17 C16 C21 1.6(5) . . . . ?
C18 C17 C16 C15 -178.8(3) . . . . ?
C19 C18 C17 O5 179.8(3) . . . . ?
C19 C18 C17 C16 -1.4(4) . . . . ?
C19 C18 C28 O7 9.1(4) . . . . ?
C19 C18 C28 O6 -167.7(3) . . . . ?
C19 C20 C21 C16 -0.6(5) . . . . ?
C6 C7 C8 O2 -3.6(4) . . . . ?
C6 C7 C8 O3 174.3(3) . . . . ?
C6 C7 C9 O4 -178.8(3) . . . . ?
C6 C7 C9 C10 0.9(4) . . . . ?
C6 C12 C11 C10 1.3(5) . . . . ?
C6 C5 C4 O2 -38.3(4) . . . . ?
C6 C5 C4 C3 -159.3(3) . . . . ?
C8 O2 C4 C5 33.8(5) . . . . ?
C8 O2 C4 C3 161.3(3) . . . . ?
C8 C7 C6 C12 -177.7(3) . . . . ?
C8 C7 C6 C5 -3.2(4) . . . . ?
C8 C7 C9 O4 -2.7(4) . . . . ?
C8 C7 C9 C10 176.9(3) . . . . ?
C17 C18 C19 C20 0.3(4) . . . . ?
C17 C18 C19 C23 -178.8(3) . . . . ?
C17 C18 C28 O7 -175.8(3) . . . . ?
C17 C18 C28 O6 7.4(5) . . . . ?
C20 C19 C23 C24 153.8(3) . . . . ?
C20 C21 C16 C17 -0.5(5) . . . . ?
C20 C21 C16 C15 179.8(3) . . . . ?
C28 O7 C24 C23 -50.3(4) . . . . ?
C28 O7 C24 C25 -173.7(3) . . . . ?
C28 C18 C19 C20 175.3(3) . . . . ?
C28 C18 C19 C23 -3.8(4) . . . . ?
C28 C18 C17 O5 4.6(4) . . . . ?
C28 C18 C17 C16 -176.6(3) . . . . ?
C9 C7 C6 C12 -1.8(4) . . . . ?
C9 C7 C6 C5 172.7(3) . . . . ?
C9 C7 C8 O2 -179.5(3) . . . . ?
C9 C7 C8 O3 -1.7(5) . . . . ?
C9 C10 C11 C12 -2.2(5) . . . . ?
C12 C6 C5 C4 -161.2(3) . . . . ?
C24 O7 C28 O6 -163.6(3) . . . . ?
C24 O7 C28 C18 19.3(4) . . . . ?
C24 C25 C26 O8 178.1(3) . . . . ?
C24 C25 C26 C27 -60.6(5) . . . . ?
C23 C19 C20 C21 179.8(3) . . . . ?
C23 C19 C20 C22 0.7(5) . . . . ?
C23 C24 C25 C26 -176.9(3) . . . . ?
C25 C24 C23 C19 171.1(3) . . . . ?
C5 C6 C12 C11 -173.6(3) . . . . ?
C5 C6 C12 C13 4.7(5) . . . . ?
C5 C4 C3 C2 -48.9(5) . . . . ?
C4 O2 C8 O3 169.6(3) . . . . ?
C4 O2 C8 C7 -12.4(4) . . . . ?
C13 C12 C11 C10 -177.1(3) . . . . ?
C22 C20 C21 C16 178.5(3) . . . . ?
C14 C10 C11 C12 176.7(3) . . . . ?
C1 C2 C3 C4 171.4(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
