# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_cxy0594_0m
_database_code_depnum_ccdc_archive 'CCDC 1908826'
loop_
_audit_author_name
_audit_author_address
'Pengfei Li' 'Southern University of Science and Technology'
_audit_update_record             
;
2019-04-09 deposited with the CCDC.	2019-07-30 downloaded from the CCDC.
;
_audit_creation_date             2018-12-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H36 O4'
_chemical_formula_sum            'C32 H36 O4'
_chemical_formula_weight         484.61
_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 0.0181 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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   10.6683(3)
_cell_length_b                   11.9783(3)
_cell_length_c                   20.8929(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2669.86(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9821
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      68.29
_cell_measurement_theta_min      3.69
_shelx_estimated_absorpt_T_max   0.804
_shelx_estimated_absorpt_T_min   0.777
_exptl_absorpt_coefficient_mu    0.617
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6598
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0839 before and 0.0702 after correction. The Ratio of minimum to maximum transmission is 0.8761. 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    1.206
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.37
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18651
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.405
_diffrn_reflns_theta_min         4.254
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker PHOTO 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker PHOTO 100 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.762
_reflns_Friedel_fraction_full    0.992
_reflns_Friedel_fraction_max     0.991
_reflns_number_gt                4671
_reflns_number_total             4860
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.349
_refine_diff_density_min         -0.321
_refine_diff_density_rms         0.041
_refine_ls_abs_structure_details 
;
 Flack x determined using 1934 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(13)
_refine_ls_extinction_coef       0.0092(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         4860
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0400
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0415P)²+1.3250P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1012
_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, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C5(H5)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3A), C9(H9), C10(H10), C11(H11), C12(H12), C15(H15), C16(H16), C17(H17),
 C18(H18), C20(H20), C32(H32)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,
 H25C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C)
2.d Idealised tetrahedral OH refined as rotating group:
 O2(H2), O3(H3), O4(H4)
;
_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 0.38602(19) 0.41977(16) 0.91378(9) 0.0271(4) Uani 1 1 d . . . . .
O2 O 0.58301(18) 0.78446(15) 0.78697(9) 0.0249(4) Uani 1 1 d . . . . .
H2 H 0.548092 0.842775 0.800420 0.037 Uiso 1 1 calc GR . . . .
O3 O 0.69957(18) 0.33446(16) 0.74104(9) 0.0270(4) Uani 1 1 d . . . . .
H3 H 0.722677 0.268832 0.733196 0.041 Uiso 1 1 calc GR . . . .
O4 O 0.47194(18) 0.48792(19) 0.50346(8) 0.0306(5) Uani 1 1 d . . . . .
H4 H 0.469683 0.549617 0.484384 0.046 Uiso 1 1 calc GR . . . .
C1 C 0.4174(3) 0.3097(2) 0.89303(16) 0.0374(7) Uani 1 1 d . . . . .
H1A H 0.397919 0.301952 0.847405 0.056 Uiso 1 1 calc GR . . . .
H1B H 0.368769 0.255092 0.917574 0.056 Uiso 1 1 calc GR . . . .
H1C H 0.507082 0.296554 0.899850 0.056 Uiso 1 1 calc GR . . . .
C2 C 0.4415(2) 0.5068(2) 0.88186(11) 0.0197(5) Uani 1 1 d . . . . .
C3 C 0.5296(2) 0.4947(2) 0.83346(11) 0.0192(5) Uani 1 1 d . . . . .
H3A H 0.556457 0.422089 0.821335 0.023 Uiso 1 1 calc R . . . .
C4 C 0.5793(2) 0.5880(2) 0.80236(11) 0.0186(5) Uani 1 1 d . . . . .
C5 C 0.6760(2) 0.5748(2) 0.74952(11) 0.0190(5) Uani 1 1 d . . . . .
H5 H 0.709181 0.651681 0.741820 0.023 Uiso 1 1 calc R . . . .
C6 C 0.7890(2) 0.5070(2) 0.77321(10) 0.0176(5) Uani 1 1 d . . . . .
C7 C 0.8897(2) 0.5656(2) 0.80419(11) 0.0198(5) Uani 1 1 d . . . . .
C8 C 0.9977(2) 0.5054(2) 0.82611(11) 0.0231(5) Uani 1 1 d . . . . .
C9 C 1.0978(3) 0.5627(3) 0.85540(13) 0.0304(6) Uani 1 1 d . . . . .
H9 H 1.169716 0.522431 0.868980 0.036 Uiso 1 1 calc R . . . .
C10 C 1.0926(3) 0.6759(3) 0.86452(14) 0.0302(6) Uani 1 1 d . . . . .
H10 H 1.160692 0.713885 0.884139 0.036 Uiso 1 1 calc R . . . .
C11 C 0.4054(2) 0.6132(2) 0.90129(12) 0.0215(5) Uani 1 1 d . . . . .
H11 H 0.348353 0.621944 0.935848 0.026 Uiso 1 1 calc R . . . .
C12 C 0.4524(2) 0.7062(2) 0.87039(12) 0.0219(5) Uani 1 1 d . . . . .
H12 H 0.427066 0.778806 0.883399 0.026 Uiso 1 1 calc R . . . .
C13 C 0.5373(2) 0.6934(2) 0.81998(12) 0.0198(5) Uani 1 1 d . . . . .
C14 C 0.7974(2) 0.3930(2) 0.76781(12) 0.0218(5) Uani 1 1 d . . . . .
C15 C 0.9027(3) 0.3330(2) 0.79055(13) 0.0262(6) Uani 1 1 d . . . . .
H15 H 0.905103 0.254039 0.786594 0.031 Uiso 1 1 calc R . . . .
C16 C 1.0008(3) 0.3880(2) 0.81812(13) 0.0286(6) Uani 1 1 d . . . . .
H16 H 1.072049 0.347169 0.832107 0.034 Uiso 1 1 calc R . . . .
C17 C 0.9864(3) 0.7354(2) 0.84477(13) 0.0278(6) Uani 1 1 d . . . . .
H17 H 0.982625 0.813730 0.851551 0.033 Uiso 1 1 calc R . . . .
C18 C 0.8879(2) 0.6822(2) 0.81581(12) 0.0228(5) Uani 1 1 d . . . . .
H18 H 0.816686 0.724440 0.803203 0.027 Uiso 1 1 calc R . . . .
C19 C 0.6207(2) 0.5381(2) 0.68549(11) 0.0182(5) Uani 1 1 d . . . . .
C20 C 0.7003(2) 0.5211(2) 0.63361(11) 0.0195(5) Uani 1 1 d . . . . .
H20 H 0.788244 0.521561 0.640709 0.023 Uiso 1 1 calc R . . . .
C21 C 0.6561(2) 0.5034(2) 0.57171(11) 0.0183(5) Uani 1 1 d . . . . .
C22 C 0.7483(2) 0.4898(2) 0.51530(11) 0.0230(5) Uani 1 1 d . . . . .
C23 C 0.8850(3) 0.4958(3) 0.53793(13) 0.0322(7) Uani 1 1 d . . . . .
H23A H 0.900422 0.568345 0.558082 0.048 Uiso 1 1 calc GR . . . .
H23B H 0.941090 0.486637 0.501148 0.048 Uiso 1 1 calc GR . . . .
H23C H 0.900797 0.436108 0.569005 0.048 Uiso 1 1 calc GR . . . .
C24 C 0.7311(3) 0.5849(3) 0.46634(13) 0.0313(7) Uani 1 1 d . . . . .
H24A H 0.748060 0.656687 0.487075 0.047 Uiso 1 1 calc GR . . . .
H24B H 0.644847 0.584128 0.450210 0.047 Uiso 1 1 calc GR . . . .
H24C H 0.789445 0.574237 0.430629 0.047 Uiso 1 1 calc GR . . . .
C25 C 0.7327(3) 0.3759(2) 0.48258(14) 0.0322(7) Uani 1 1 d . . . . .
H25A H 0.791217 0.370326 0.446551 0.048 Uiso 1 1 calc GR . . . .
H25B H 0.646592 0.368299 0.466854 0.048 Uiso 1 1 calc GR . . . .
H25C H 0.750385 0.316298 0.513431 0.048 Uiso 1 1 calc GR . . . .
C26 C 0.5249(2) 0.5020(2) 0.56331(11) 0.0206(5) Uani 1 1 d . . . . .
C27 C 0.4408(2) 0.5162(2) 0.61437(11) 0.0184(5) Uani 1 1 d . . . . .
C28 C 0.2973(2) 0.5143(2) 0.60461(12) 0.0228(5) Uani 1 1 d . . . . .
C29 C 0.2585(3) 0.6149(3) 0.56333(15) 0.0336(7) Uani 1 1 d . . . . .
H29A H 0.167819 0.612613 0.555863 0.050 Uiso 1 1 calc GR . . . .
H29B H 0.302588 0.611924 0.522227 0.050 Uiso 1 1 calc GR . . . .
H29C H 0.280262 0.684200 0.585631 0.050 Uiso 1 1 calc GR . . . .
C30 C 0.2566(3) 0.4046(2) 0.57272(13) 0.0273(6) Uani 1 1 d . . . . .
H30A H 0.279843 0.341588 0.600183 0.041 Uiso 1 1 calc GR . . . .
H30B H 0.298452 0.397159 0.531178 0.041 Uiso 1 1 calc GR . . . .
H30C H 0.165588 0.405083 0.566445 0.041 Uiso 1 1 calc GR . . . .
C31 C 0.2268(2) 0.5229(2) 0.66829(13) 0.0272(6) Uani 1 1 d . . . . .
H31A H 0.136297 0.522403 0.660177 0.041 Uiso 1 1 calc GR . . . .
H31B H 0.249927 0.592602 0.689857 0.041 Uiso 1 1 calc GR . . . .
H31C H 0.248967 0.459372 0.695552 0.041 Uiso 1 1 calc GR . . . .
C32 C 0.4922(2) 0.5347(2) 0.67490(11) 0.0187(5) Uani 1 1 d . . . . .
H32 H 0.437277 0.545417 0.710161 0.022 Uiso 1 1 calc R . . . .


_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 1.428(4) . ?
O1 C2 1.372(3) . ?
O2 H2 0.8400 . ?
O2 C13 1.379(3) . ?
O3 H3 0.8400 . ?
O3 C14 1.376(3) . ?
O4 H4 0.8400 . ?
O4 C26 1.382(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.388(3) . ?
C2 C11 1.393(4) . ?
C3 H3A 0.9500 . ?
C3 C4 1.398(4) . ?
C4 C5 1.519(3) . ?
C4 C13 1.389(4) . ?
C5 H5 1.0000 . ?
C5 C6 1.536(3) . ?
C5 C19 1.526(3) . ?
C6 C7 1.437(3) . ?
C6 C14 1.373(4) . ?
C7 C8 1.434(4) . ?
C7 C18 1.417(4) . ?
C8 C9 1.410(4) . ?
C8 C16 1.416(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.370(4) . ?
C10 H10 0.9500 . ?
C10 C17 1.400(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.382(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.397(4) . ?
C14 C15 1.415(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.364(4) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.370(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.392(3) . ?
C19 C32 1.389(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.393(3) . ?
C21 C22 1.544(3) . ?
C21 C26 1.411(4) . ?
C22 C23 1.535(4) . ?
C22 C24 1.542(4) . ?
C22 C25 1.535(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.404(3) . ?
C27 C28 1.544(3) . ?
C27 C32 1.396(3) . ?
C28 C29 1.539(4) . ?
C28 C30 1.535(4) . ?
C28 C31 1.532(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32 0.9500 . ?

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
C2 O1 C1 116.9(2) . . ?
C13 O2 H2 109.5 . . ?
C14 O3 H3 109.5 . . ?
C26 O4 H4 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 124.5(2) . . ?
O1 C2 C11 115.8(2) . . ?
C3 C2 C11 119.7(2) . . ?
C2 C3 H3A 119.6 . . ?
C2 C3 C4 120.8(2) . . ?
C4 C3 H3A 119.6 . . ?
C3 C4 C5 120.8(2) . . ?
C13 C4 C3 118.8(2) . . ?
C13 C4 C5 120.4(2) . . ?
C4 C5 H5 105.1 . . ?
C4 C5 C6 110.75(19) . . ?
C4 C5 C19 113.9(2) . . ?
C6 C5 H5 105.1 . . ?
C19 C5 H5 105.1 . . ?
C19 C5 C6 115.7(2) . . ?
C7 C6 C5 118.3(2) . . ?
C14 C6 C5 123.4(2) . . ?
C14 C6 C7 118.3(2) . . ?
C8 C7 C6 119.9(2) . . ?
C18 C7 C6 123.3(2) . . ?
C18 C7 C8 116.9(2) . . ?
C9 C8 C7 120.1(3) . . ?
C9 C8 C16 121.1(3) . . ?
C16 C8 C7 118.7(2) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.8(3) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C17 119.7(3) . . ?
C17 C10 H10 120.2 . . ?
C2 C11 H11 119.9 . . ?
C12 C11 C2 120.1(2) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 119.9(2) . . ?
C13 C12 H12 120.0 . . ?
O2 C13 C4 118.2(2) . . ?
O2 C13 C12 121.3(2) . . ?
C4 C13 C12 120.6(2) . . ?
O3 C14 C15 118.7(2) . . ?
C6 C14 O3 119.4(2) . . ?
C6 C14 C15 121.9(2) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(3) . . ?
C16 C15 H15 119.8 . . ?
C8 C16 H16 119.6 . . ?
C15 C16 C8 120.7(3) . . ?
C15 C16 H16 119.6 . . ?
C10 C17 H17 119.5 . . ?
C18 C17 C10 121.0(3) . . ?
C18 C17 H17 119.5 . . ?
C7 C18 H18 119.2 . . ?
C17 C18 C7 121.6(2) . . ?
C17 C18 H18 119.2 . . ?
C20 C19 C5 119.3(2) . . ?
C32 C19 C5 121.9(2) . . ?
C32 C19 C20 118.3(2) . . ?
C19 C20 H20 118.7 . . ?
C19 C20 C21 122.6(2) . . ?
C21 C20 H20 118.7 . . ?
C20 C21 C22 120.6(2) . . ?
C20 C21 C26 116.9(2) . . ?
C26 C21 C22 122.4(2) . . ?
C23 C22 C21 111.4(2) . . ?
C23 C22 C24 106.4(2) . . ?
C23 C22 C25 106.4(2) . . ?
C24 C22 C21 110.6(2) . . ?
C25 C22 C21 111.4(2) . . ?
C25 C22 C24 110.4(2) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O4 C26 C21 121.3(2) . . ?
O4 C26 C27 116.2(2) . . ?
C27 C26 C21 122.6(2) . . ?
C26 C27 C28 122.1(2) . . ?
C32 C27 C26 117.1(2) . . ?
C32 C27 C28 120.8(2) . . ?
C29 C28 C27 109.2(2) . . ?
C30 C28 C27 110.5(2) . . ?
C30 C28 C29 110.5(2) . . ?
C31 C28 C27 111.8(2) . . ?
C31 C28 C29 107.5(2) . . ?
C31 C28 C30 107.2(2) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C19 C32 C27 122.5(2) . . ?
C19 C32 H32 118.8 . . ?
C27 C32 H32 118.8 . . ?

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 C2 C3 C4 178.5(2) . . . . ?
O1 C2 C11 C12 -177.5(2) . . . . ?
O3 C14 C15 C16 -179.2(2) . . . . ?
O4 C26 C27 C28 1.0(4) . . . . ?
O4 C26 C27 C32 -177.7(2) . . . . ?
C1 O1 C2 C3 -3.3(4) . . . . ?
C1 O1 C2 C11 177.5(2) . . . . ?
C2 C3 C4 C5 179.8(2) . . . . ?
C2 C3 C4 C13 -1.1(3) . . . . ?
C2 C11 C12 C13 -0.7(4) . . . . ?
C3 C2 C11 C12 3.2(4) . . . . ?
C3 C4 C5 C6 -55.4(3) . . . . ?
C3 C4 C5 C19 77.0(3) . . . . ?
C3 C4 C13 O2 -177.2(2) . . . . ?
C3 C4 C13 C12 3.7(4) . . . . ?
C4 C5 C6 C7 -87.3(3) . . . . ?
C4 C5 C6 C14 90.9(3) . . . . ?
C4 C5 C19 C20 -178.8(2) . . . . ?
C4 C5 C19 C32 9.5(3) . . . . ?
C5 C4 C13 O2 1.9(3) . . . . ?
C5 C4 C13 C12 -177.3(2) . . . . ?
C5 C6 C7 C8 -179.1(2) . . . . ?
C5 C6 C7 C18 2.1(3) . . . . ?
C5 C6 C14 O3 -1.3(4) . . . . ?
C5 C6 C14 C15 -179.6(2) . . . . ?
C5 C19 C20 C21 -170.5(2) . . . . ?
C5 C19 C32 C27 171.1(2) . . . . ?
C6 C5 C19 C20 -48.8(3) . . . . ?
C6 C5 C19 C32 139.5(2) . . . . ?
C6 C7 C8 C9 178.7(2) . . . . ?
C6 C7 C8 C16 -1.7(4) . . . . ?
C6 C7 C18 C17 -179.1(2) . . . . ?
C6 C14 C15 C16 -0.8(4) . . . . ?
C7 C6 C14 O3 177.0(2) . . . . ?
C7 C6 C14 C15 -1.4(4) . . . . ?
C7 C8 C9 C10 1.3(4) . . . . ?
C7 C8 C16 C15 -0.5(4) . . . . ?
C8 C7 C18 C17 2.0(4) . . . . ?
C8 C9 C10 C17 0.3(4) . . . . ?
C9 C8 C16 C15 179.1(3) . . . . ?
C9 C10 C17 C18 -0.7(4) . . . . ?
C10 C17 C18 C7 -0.5(4) . . . . ?
C11 C2 C3 C4 -2.3(4) . . . . ?
C11 C12 C13 O2 178.0(2) . . . . ?
C11 C12 C13 C4 -2.8(4) . . . . ?
C13 C4 C5 C6 125.5(2) . . . . ?
C13 C4 C5 C19 -102.0(3) . . . . ?
C14 C6 C7 C8 2.6(3) . . . . ?
C14 C6 C7 C18 -176.2(2) . . . . ?
C14 C15 C16 C8 1.8(4) . . . . ?
C16 C8 C9 C10 -178.2(3) . . . . ?
C18 C7 C8 C9 -2.4(3) . . . . ?
C18 C7 C8 C16 177.2(2) . . . . ?
C19 C5 C6 C7 141.2(2) . . . . ?
C19 C5 C6 C14 -40.6(3) . . . . ?
C19 C20 C21 C22 177.5(2) . . . . ?
C19 C20 C21 C26 -0.7(4) . . . . ?
C20 C19 C32 C27 -0.7(4) . . . . ?
C20 C21 C22 C23 1.3(4) . . . . ?
C20 C21 C22 C24 -116.9(3) . . . . ?
C20 C21 C22 C25 119.9(3) . . . . ?
C20 C21 C26 O4 178.3(2) . . . . ?
C20 C21 C26 C27 -0.8(4) . . . . ?
C21 C26 C27 C28 -179.9(2) . . . . ?
C21 C26 C27 C32 1.5(4) . . . . ?
C22 C21 C26 O4 0.2(4) . . . . ?
C22 C21 C26 C27 -179.0(2) . . . . ?
C26 C21 C22 C23 179.4(3) . . . . ?
C26 C21 C22 C24 61.2(3) . . . . ?
C26 C21 C22 C25 -62.0(3) . . . . ?
C26 C27 C28 C29 -65.3(3) . . . . ?
C26 C27 C28 C30 56.5(3) . . . . ?
C26 C27 C28 C31 175.8(2) . . . . ?
C26 C27 C32 C19 -0.7(4) . . . . ?
C28 C27 C32 C19 -179.4(2) . . . . ?
C32 C19 C20 C21 1.5(4) . . . . ?
C32 C27 C28 C29 113.3(3) . . . . ?
C32 C27 C28 C30 -124.9(3) . . . . ?
C32 C27 C28 C31 -5.6(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
