# 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 2023

####################################################################### 
# 
# 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_230319lu_ngd_0m
_database_code_depnum_ccdc_archive 'CCDC 2255280'
loop_
_audit_author_name
_audit_author_address
zhangdong
;Nanjing Tech University
China
;
_audit_update_record             
;
2023-04-11 deposited with the CCDC.	2023-09-19 downloaded from the CCDC.
;
_audit_creation_date             2023-03-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C14 H17 O4)'
_chemical_formula_sum            'C28 H34 O8'
_chemical_formula_weight         498.55
_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      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                   5.4044(3)
_cell_length_b                   14.2246(7)
_cell_length_c                   17.7580(8)
_cell_angle_alpha                79.753(2)
_cell_angle_beta                 81.874(2)
_cell_angle_gamma                81.718(2)
_cell_volume                     1319.95(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9773
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      68.164
_cell_measurement_theta_min      3.181
_shelx_estimated_absorpt_T_max   0.928
_shelx_estimated_absorpt_T_min   0.908
_exptl_absorpt_coefficient_mu    0.753
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.5825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1382 before and 0.0688 after correction.
The Ratio of minimum to maximum transmission is 0.7735.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.13
_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  0.0397
_diffrn_reflns_av_unetI/netI     0.0291
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            39888
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.297
_diffrn_reflns_theta_min         2.546
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_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                4423
_reflns_number_total             4815
_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 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.339
_refine_diff_density_min         -0.234
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         4815
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0400
_refine_ls_restrained_S_all      1.075
_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)+(0.0575P)²+0.2869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1133
_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 Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C19(H19A,H19B), C27(H27A,H27B), C2(H2A,H2B), C9(H9A,H9B),
 C13(H13A,H13B)
2.b Aromatic/amide H refined with riding coordinates:
 C22(H22), C24(H24), C25(H25), C5(H5), C7(H7), C8(H8)
2.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C28(H28A,H28B,H28C), C1(H1A,H1B,H1C), C14(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   mixed
_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
O5 O 0.22048(16) 0.12026(6) 0.16229(5) 0.0381(2) Uani 1 1 d . . . . .
O6 O 0.4284(2) 0.24069(7) 0.17505(6) 0.0509(3) Uani 1 1 d . . . . .
O7 O 0.84796(17) -0.20433(7) 0.36290(5) 0.0425(2) Uani 1 1 d . . . . .
O8 O 0.84693(19) -0.11901(7) 0.24417(5) 0.0504(3) Uani 1 1 d . . . . .
C15 C -0.0473(3) 0.12252(11) 0.06691(9) 0.0558(4) Uani 1 1 d . . . . .
H15A H -0.147557 0.163708 0.029041 0.084 Uiso 1 1 calc R U . . .
H15B H -0.159091 0.087803 0.107277 0.084 Uiso 1 1 calc R U . . .
H15C H 0.072482 0.076207 0.041297 0.084 Uiso 1 1 calc R U . . .
C16 C 0.0934(3) 0.18327(10) 0.10214(8) 0.0468(3) Uani 1 1 d . . . . .
H16A H 0.217666 0.214369 0.062679 0.056 Uiso 1 1 calc R U . . .
H16B H -0.024468 0.234150 0.124165 0.056 Uiso 1 1 calc R U . . .
C17 C 0.3802(2) 0.15891(8) 0.19525(7) 0.0331(3) Uani 1 1 d . . . . .
C18 C 0.4916(2) 0.08883(8) 0.25840(6) 0.0298(2) Uani 1 1 d . . . . .
C19 C 0.3886(2) -0.00706(8) 0.28084(6) 0.0297(2) Uani 1 1 d . . . . .
H19A H 0.207636 0.004618 0.300161 0.036 Uiso 1 1 calc R U . . .
H19B H 0.401822 -0.037442 0.234182 0.036 Uiso 1 1 calc R U . . .
C20 C 0.5203(2) -0.07638(8) 0.34137(6) 0.0295(2) Uani 1 1 d . . . . .
C21 C 0.6703(2) 0.11472(9) 0.29101(8) 0.0387(3) Uani 1 1 d . . . . .
H21A H 0.750(3) 0.0701(11) 0.3312(9) 0.047(4) Uiso 1 1 d . . . . .
H21B H 0.731(3) 0.1756(12) 0.2726(9) 0.050(4) Uiso 1 1 d . . . . .
C22 C 0.4401(2) -0.09112(8) 0.41687(6) 0.0310(2) Uani 1 1 d . . . . .
H22 H 0.539804 -0.139175 0.447756 0.037 Uiso 1 1 calc R U . . .
C23 C 0.2169(2) -0.04222(8) 0.45797(6) 0.0294(2) Uani 1 1 d . . . . .
C24 C 0.0873(2) -0.09550(8) 0.52131(6) 0.0330(3) Uani 1 1 d . . . . .
H24 H 0.147394 -0.161313 0.536618 0.040 Uiso 1 1 calc R U . . .
C25 C -0.1256(2) -0.05485(8) 0.56214(6) 0.0329(3) Uani 1 1 d . . . . .
H25 H -0.211059 -0.093244 0.604356 0.039 Uiso 1 1 calc R U . . .
C26 C 0.7536(2) -0.13418(8) 0.31038(7) 0.0333(3) Uani 1 1 d . . . . .
C27 C 1.0736(2) -0.26350(10) 0.33572(9) 0.0470(3) Uani 1 1 d . . . . .
H27A H 1.222087 -0.228275 0.329932 0.056 Uiso 1 1 calc R U . . .
H27B H 1.056483 -0.280163 0.285048 0.056 Uiso 1 1 calc R U . . .
C28 C 1.1046(4) -0.35242(15) 0.39387(10) 0.0901(8) Uani 1 1 d . . . . .
H28A H 1.254259 -0.394487 0.376779 0.135 Uiso 1 1 calc R U . . .
H28B H 0.955570 -0.386185 0.399596 0.135 Uiso 1 1 calc R U . . .
H28C H 1.124292 -0.335102 0.443510 0.135 Uiso 1 1 calc R U . . .
O1 O 0.66525(17) -0.27500(7) 0.12062(5) 0.0454(2) Uani 1 1 d . . . . .
O2 O 0.63404(19) -0.35593(8) 0.24085(6) 0.0544(3) Uani 1 1 d . . . . .
O3 O 1.22100(17) -0.60692(6) 0.33715(5) 0.0420(2) Uani 1 1 d . . . . .
O4 O 0.9927(2) -0.72126(7) 0.32508(6) 0.0573(3) Uani 1 1 d . . . . .
C1 C 0.4688(3) -0.11458(11) 0.09032(9) 0.0578(4) Uani 1 1 d . . . . .
H1A H 0.619203 -0.089214 0.099543 0.087 Uiso 1 1 calc R U . . .
H1B H 0.319368 -0.069240 0.101822 0.087 Uiso 1 1 calc R U . . .
H1C H 0.483599 -0.123143 0.036249 0.087 Uiso 1 1 calc R U . . .
C2 C 0.4451(3) -0.20895(10) 0.14097(9) 0.0510(4) Uani 1 1 d . . . . .
H2A H 0.435001 -0.201425 0.195721 0.061 Uiso 1 1 calc R U . . .
H2B H 0.290276 -0.234080 0.133494 0.061 Uiso 1 1 calc R U . . .
C3 C 0.7399(2) -0.34531(8) 0.17622(7) 0.0344(3) Uani 1 1 d . . . . .
C4 C 0.9705(2) -0.40889(8) 0.15061(6) 0.0292(2) Uani 1 1 d . . . . .
C5 C 1.0653(2) -0.39712(8) 0.07616(7) 0.0305(2) Uani 1 1 d . . . . .
H5 H 0.978633 -0.346977 0.043243 0.037 Uiso 1 1 calc R U . . .
C6 C 1.2861(2) -0.45178(8) 0.03876(6) 0.0281(2) Uani 1 1 d . . . . .
C7 C 1.3516(2) -0.55078(8) 0.05915(6) 0.0313(3) Uani 1 1 d . . . . .
H7 H 1.250607 -0.586315 0.099295 0.038 Uiso 1 1 calc R U . . .
C8 C 1.5620(2) -0.59745(8) 0.02139(6) 0.0315(3) Uani 1 1 d . . . . .
H8 H 1.604672 -0.664653 0.036656 0.038 Uiso 1 1 calc R U . . .
C9 C 1.0830(2) -0.47940(8) 0.21437(6) 0.0302(2) Uani 1 1 d . . . . .
H9A H 1.070198 -0.447251 0.260094 0.036 Uiso 1 1 calc R U . . .
H9B H 1.264223 -0.496316 0.197684 0.036 Uiso 1 1 calc R U . . .
C10 C 0.9618(2) -0.57131(8) 0.23797(6) 0.0304(3) Uani 1 1 d . . . . .
C11 C 0.7810(2) -0.59345(9) 0.20402(8) 0.0390(3) Uani 1 1 d . . . . .
H11A H 0.714(3) -0.5485(11) 0.1617(9) 0.046(4) Uiso 1 1 d . . . . .
H11B H 0.707(3) -0.6523(12) 0.2223(9) 0.049(4) Uiso 1 1 d . . . . .
C12 C 1.0564(2) -0.64205(9) 0.30363(7) 0.0359(3) Uani 1 1 d . . . . .
C13 C 1.3329(3) -0.67072(11) 0.40001(9) 0.0556(4) Uani 1 1 d . . . . .
H13A H 1.454708 -0.721941 0.379887 0.067 Uiso 1 1 calc R U . . .
H13B H 1.200814 -0.701376 0.436646 0.067 Uiso 1 1 calc R U . . .
C14 C 1.4629(4) -0.61144(14) 0.43926(11) 0.0744(5) Uani 1 1 d . . . . .
H14A H 1.586123 -0.578458 0.401760 0.112 Uiso 1 1 calc R U . . .
H14B H 1.549536 -0.653118 0.480140 0.112 Uiso 1 1 calc R U . . .
H14C H 1.338906 -0.563675 0.461766 0.112 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
O5 C16 1.4511(15) . ?
O5 C17 1.3356(14) . ?
O6 C17 1.2091(14) . ?
O7 C26 1.3350(15) . ?
O7 C27 1.4528(15) . ?
O8 C26 1.2069(15) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 C16 1.494(2) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.4947(16) . ?
C18 C19 1.5138(15) . ?
C18 C21 1.3192(17) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.5072(15) . ?
C20 C22 1.3385(16) . ?
C20 C26 1.4949(16) . ?
C21 H21A 0.972(16) . ?
C21 H21B 0.956(16) . ?
C22 H22 0.9500 . ?
C22 C23 1.4701(16) . ?
C23 C24 1.3990(16) . ?
C23 C25 1.3984(16) 2_556 ?
C24 H24 0.9500 . ?
C24 C25 1.3807(16) . ?
C25 H25 0.9500 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.489(2) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
O1 C2 1.4512(15) . ?
O1 C3 1.3352(15) . ?
O2 C3 1.2020(15) . ?
O3 C12 1.3340(15) . ?
O3 C13 1.4518(16) . ?
O4 C12 1.2063(15) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C2 1.488(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.4963(16) . ?
C4 C5 1.3389(16) . ?
C4 C9 1.5077(15) . ?
C5 H5 0.9500 . ?
C5 C6 1.4705(15) . ?
C6 C7 1.3967(15) . ?
C6 C8 1.3987(15) 2_845 ?
C7 H7 0.9500 . ?
C7 C8 1.3819(16) . ?
C8 H8 0.9500 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.5128(15) . ?
C10 C11 1.3193(17) . ?
C10 C12 1.4952(16) . ?
C11 H11A 0.973(16) . ?
C11 H11B 0.963(16) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.486(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 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
C17 O5 C16 116.56(9) . . ?
C26 O7 C27 115.87(10) . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
O5 C16 C15 107.26(11) . . ?
O5 C16 H16A 110.3 . . ?
O5 C16 H16B 110.3 . . ?
C15 C16 H16A 110.3 . . ?
C15 C16 H16B 110.3 . . ?
H16A C16 H16B 108.5 . . ?
O5 C17 C18 111.88(9) . . ?
O6 C17 O5 123.17(11) . . ?
O6 C17 C18 124.95(11) . . ?
C17 C18 C19 117.25(10) . . ?
C21 C18 C17 118.14(10) . . ?
C21 C18 C19 124.61(11) . . ?
C18 C19 H19A 108.7 . . ?
C18 C19 H19B 108.7 . . ?
H19A C19 H19B 107.6 . . ?
C20 C19 C18 114.35(9) . . ?
C20 C19 H19A 108.7 . . ?
C20 C19 H19B 108.7 . . ?
C22 C20 C19 125.56(10) . . ?
C22 C20 C26 120.04(10) . . ?
C26 C20 C19 114.35(9) . . ?
C18 C21 H21A 120.0(9) . . ?
C18 C21 H21B 120.2(9) . . ?
H21A C21 H21B 119.6(13) . . ?
C20 C22 H22 116.0 . . ?
C20 C22 C23 128.09(10) . . ?
C23 C22 H22 116.0 . . ?
C24 C23 C22 118.35(10) . . ?
C25 C23 C22 124.04(10) 2_556 . ?
C25 C23 C24 117.61(11) 2_556 . ?
C23 C24 H24 119.2 . . ?
C25 C24 C23 121.66(11) . . ?
C25 C24 H24 119.2 . . ?
C23 C25 H25 119.6 2_556 . ?
C24 C25 C23 120.72(10) . 2_556 ?
C24 C25 H25 119.6 . . ?
O7 C26 C20 113.52(10) . . ?
O8 C26 O7 123.32(11) . . ?
O8 C26 C20 123.16(11) . . ?
O7 C27 H27A 110.2 . . ?
O7 C27 H27B 110.2 . . ?
O7 C27 C28 107.44(12) . . ?
H27A C27 H27B 108.5 . . ?
C28 C27 H27A 110.2 . . ?
C28 C27 H27B 110.2 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C3 O1 C2 117.06(10) . . ?
C12 O3 C13 116.71(10) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
O1 C2 C1 107.93(12) . . ?
O1 C2 H2A 110.1 . . ?
O1 C2 H2B 110.1 . . ?
C1 C2 H2A 110.1 . . ?
C1 C2 H2B 110.1 . . ?
H2A C2 H2B 108.4 . . ?
O1 C3 C4 113.48(10) . . ?
O2 C3 O1 123.34(11) . . ?
O2 C3 C4 123.17(12) . . ?
C3 C4 C9 114.91(10) . . ?
C5 C4 C3 119.45(10) . . ?
C5 C4 C9 125.58(10) . . ?
C4 C5 H5 115.8 . . ?
C4 C5 C6 128.39(10) . . ?
C6 C5 H5 115.8 . . ?
C7 C6 C5 123.68(10) . . ?
C7 C6 C8 117.83(10) . 2_845 ?
C8 C6 C5 118.48(10) 2_845 . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.50(10) . . ?
C8 C7 H7 119.7 . . ?
C6 C8 H8 119.2 2_845 . ?
C7 C8 C6 121.66(10) . 2_845 ?
C7 C8 H8 119.2 . . ?
C4 C9 H9A 108.5 . . ?
C4 C9 H9B 108.5 . . ?
C4 C9 C10 114.90(9) . . ?
H9A C9 H9B 107.5 . . ?
C10 C9 H9A 108.5 . . ?
C10 C9 H9B 108.5 . . ?
C11 C10 C9 124.40(11) . . ?
C11 C10 C12 118.09(11) . . ?
C12 C10 C9 117.50(10) . . ?
C10 C11 H11A 120.0(9) . . ?
C10 C11 H11B 121.0(9) . . ?
H11A C11 H11B 118.9(13) . . ?
O3 C12 C10 111.79(10) . . ?
O4 C12 O3 123.08(12) . . ?
O4 C12 C10 125.13(11) . . ?
O3 C13 H13A 110.2 . . ?
O3 C13 H13B 110.2 . . ?
O3 C13 C14 107.39(13) . . ?
H13A C13 H13B 108.5 . . ?
C14 C13 H13A 110.2 . . ?
C14 C13 H13B 110.2 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 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
O5 C17 C18 C19 -6.75(14) . . . . ?
O5 C17 C18 C21 173.76(11) . . . . ?
O6 C17 C18 C19 173.97(11) . . . . ?
O6 C17 C18 C21 -5.53(18) . . . . ?
C16 O5 C17 O6 -3.08(17) . . . . ?
C16 O5 C17 C18 177.62(10) . . . . ?
C17 O5 C16 C15 172.72(11) . . . . ?
C17 C18 C19 C20 176.40(9) . . . . ?
C18 C19 C20 C22 97.94(13) . . . . ?
C18 C19 C20 C26 -84.60(12) . . . . ?
C19 C20 C22 C23 -2.52(19) . . . . ?
C19 C20 C26 O7 -171.08(9) . . . . ?
C19 C20 C26 O8 8.65(16) . . . . ?
C20 C22 C23 C24 145.30(12) . . . . ?
C20 C22 C23 C25 -34.90(18) . . . 2_556 ?
C21 C18 C19 C20 -4.14(16) . . . . ?
C22 C20 C26 O7 6.53(15) . . . . ?
C22 C20 C26 O8 -173.74(12) . . . . ?
C22 C23 C24 C25 -179.16(11) . . . . ?
C23 C24 C25 C23 -1.1(2) . . . 2_556 ?
C25 C23 C24 C25 1.03(19) 2_556 . . . ?
C26 O7 C27 C28 -163.60(14) . . . . ?
C26 C20 C22 C23 -179.85(10) . . . . ?
C27 O7 C26 O8 -0.35(17) . . . . ?
C27 O7 C26 C20 179.39(10) . . . . ?
O1 C3 C4 C5 -6.19(15) . . . . ?
O1 C3 C4 C9 171.11(9) . . . . ?
O2 C3 C4 C5 174.63(12) . . . . ?
O2 C3 C4 C9 -8.08(16) . . . . ?
C2 O1 C3 O2 0.20(18) . . . . ?
C2 O1 C3 C4 -178.99(10) . . . . ?
C3 O1 C2 C1 151.43(12) . . . . ?
C3 C4 C5 C6 -179.23(10) . . . . ?
C3 C4 C9 C10 83.19(12) . . . . ?
C4 C5 C6 C7 37.28(18) . . . . ?
C4 C5 C6 C8 -143.67(12) . . . 2_845 ?
C4 C9 C10 C11 3.78(16) . . . . ?
C4 C9 C10 C12 -177.00(10) . . . . ?
C5 C4 C9 C10 -99.70(13) . . . . ?
C5 C6 C7 C8 179.96(10) . . . . ?
C6 C7 C8 C6 -0.93(19) . . . 2_845 ?
C8 C6 C7 C8 0.90(18) 2_845 . . . ?
C9 C4 C5 C6 3.78(19) . . . . ?
C9 C10 C12 O3 6.65(15) . . . . ?
C9 C10 C12 O4 -173.92(12) . . . . ?
C11 C10 C12 O3 -174.08(11) . . . . ?
C11 C10 C12 O4 5.35(19) . . . . ?
C12 O3 C13 C14 -167.82(13) . . . . ?
C13 O3 C12 O4 2.76(19) . . . . ?
C13 O3 C12 C10 -177.80(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
