# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_mo_20171027_0m-auto
_database_code_depnum_ccdc_archive 'CCDC 2128983'
loop_
_audit_author_name
_audit_author_address
longhe
;guiyang university
China
;
_audit_update_record             
;
2021-12-16 deposited with the CCDC.	2022-05-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H36 O4'
_chemical_formula_sum            'C36 H36 O4'
_chemical_formula_weight         532.65

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7854(6)
_cell_length_b                   11.7030(7)
_cell_length_c                   13.8373(9)
_cell_angle_alpha                67.015(3)
_cell_angle_beta                 89.202(3)
_cell_angle_gamma                85.046(3)
_cell_volume                     1453.03(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_F_000             568
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    0.078
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38069
_diffrn_reflns_av_unetI/netI     0.0248
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.604
_diffrn_reflns_theta_max         25.464
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5378
_reflns_number_gt                4100
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5378
_refine_ls_number_parameters     370
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0443
_refine_ls_wR_factor_ref         0.1451
_refine_ls_wR_factor_gt          0.1324
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.049
_refine_ls_shift/su_mean         0.002

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 0.90995(14) 0.06955(11) 0.86440(12) 0.0720(4) Uani 1 1 d . . . . .
H1 H 0.974(3) 0.063(2) 0.888(2) 0.108 Uiso 1 1 d . U . . .
O2 O 0.57642(10) 0.79426(8) 0.58588(8) 0.0450(3) Uani 1 1 d . . . . .
O3 O 0.46154(11) 0.40734(9) 0.81353(8) 0.0481(3) Uani 1 1 d . . . . .
O4 O 0.37359(11) 0.45313(10) 0.65309(9) 0.0531(3) Uani 1 1 d . . . . .
C1 C 0.85611(15) 0.18585(12) 0.79650(12) 0.0421(4) Uani 1 1 d . . . . .
C2 C 0.73594(15) 0.19087(12) 0.74030(11) 0.0382(3) Uani 1 1 d . . . . .
C3 C 0.68316(15) 0.30847(12) 0.67215(11) 0.0364(3) Uani 1 1 d . . . . .
H12 H 0.6055 0.3149 0.6317 0.044 Uiso 1 1 calc R U . . .
C4 C 0.74070(14) 0.41655(11) 0.66157(10) 0.0329(3) Uani 1 1 d . . . . .
C5 C 0.65968(14) 0.54141(11) 0.60074(10) 0.0324(3) Uani 1 1 d . . . . .
H23 H 0.6065 0.5310 0.5457 0.039 Uiso 1 1 calc R U . . .
C6 C 0.55464(14) 0.57270(11) 0.67469(10) 0.0329(3) Uani 1 1 d . . . . .
C7 C 0.48014(15) 0.70245(12) 0.61058(11) 0.0379(3) Uani 1 1 d . . . . .
H25 H 0.4461 0.7017 0.5446 0.046 Uiso 1 1 calc R U . . .
C8 C 0.36109(15) 0.74179(12) 0.66386(12) 0.0421(4) Uani 1 1 d . . . . .
C9 C 0.38038(18) 0.79212(14) 0.73773(13) 0.0513(4) Uani 1 1 d . . . . .
H33 H 0.4688 0.8016 0.7555 0.062 Uiso 1 1 calc R U . . .
C10 C 0.2699(2) 0.82815(17) 0.78500(15) 0.0677(5) Uani 1 1 d . . . . .
H30 H 0.2838 0.8624 0.8341 0.081 Uiso 1 1 calc R U . . .
C11 C 0.1390(2) 0.81359(19) 0.75972(17) 0.0768(6) Uani 1 1 d . . . . .
H2 H 0.0645 0.8370 0.7925 0.092 Uiso 1 1 calc R U . . .
C12 C 0.66200(17) 0.07431(13) 0.75555(13) 0.0502(4) Uani 1 1 d . . . . .
C13 C 0.5328(2) 0.10715(16) 0.68656(18) 0.0812(7) Uani 1 1 d . . . . .
H4 H 0.5579 0.1322 0.6144 0.122 Uiso 1 1 calc R U . . .
H3 H 0.4781 0.1743 0.6955 0.122 Uiso 1 1 calc R U . . .
H5 H 0.4810 0.0357 0.7063 0.122 Uiso 1 1 calc R U . . .
C14 C 0.7560(3) -0.01961(19) 0.7287(2) 0.0925(8) Uani 1 1 d . . . . .
H7 H 0.7074 -0.0905 0.7368 0.139 Uiso 1 1 calc R U . . .
H8 H 0.8350 -0.0459 0.7749 0.139 Uiso 1 1 calc R U . . .
H6 H 0.7847 0.0185 0.6574 0.139 Uiso 1 1 calc R U . . .
C15 C 0.6165(2) 0.0150(2) 0.86870(18) 0.0897(7) Uani 1 1 d . . . . .
H9 H 0.5532 0.0728 0.8838 0.135 Uiso 1 1 calc R U . . .
H10 H 0.6951 -0.0064 0.9152 0.135 Uiso 1 1 calc R U . . .
H11 H 0.5726 -0.0589 0.8785 0.135 Uiso 1 1 calc R U . . .
C16 C 0.85934(14) 0.40614(12) 0.71876(10) 0.0342(3) Uani 1 1 d . . . . .
H22 H 0.8993 0.4783 0.7114 0.041 Uiso 1 1 calc R U . . .
C17 C 0.92096(14) 0.29176(12) 0.78677(11) 0.0377(3) Uani 1 1 d . . . . .
C18 C 1.05012(16) 0.28423(14) 0.85146(12) 0.0463(4) Uani 1 1 d . . . . .
C19 C 1.0165(2) 0.23403(18) 0.96917(13) 0.0652(5) Uani 1 1 d . . . . .
H15 H 1.0986 0.2246 1.0097 0.098 Uiso 1 1 calc R U . . .
H13 H 0.9798 0.1547 0.9891 0.098 Uiso 1 1 calc R U . . .
H14 H 0.9500 0.2915 0.9820 0.098 Uiso 1 1 calc R U . . .
C20 C 1.10093(17) 0.41291(15) 0.82441(14) 0.0570(4) Uani 1 1 d . . . . .
H18 H 1.1209 0.4490 0.7510 0.086 Uiso 1 1 calc R U . . .
H17 H 1.1826 0.4049 0.8651 0.086 Uiso 1 1 calc R U . . .
H16 H 1.0312 0.4656 0.8402 0.086 Uiso 1 1 calc R U . . .
C21 C 1.17026(18) 0.20326(19) 0.82997(17) 0.0697(6) Uani 1 1 d . . . . .
H21 H 1.1877 0.2350 0.7561 0.104 Uiso 1 1 calc R U . . .
H20 H 1.1468 0.1189 0.8528 0.104 Uiso 1 1 calc R U . . .
H19 H 1.2509 0.2056 0.8676 0.104 Uiso 1 1 calc R U . . .
C22 C 0.74294(14) 0.65153(12) 0.54730(10) 0.0354(3) Uani 1 1 d . . . . .
C23 C 0.86545(16) 0.64006(14) 0.49855(11) 0.0443(4) Uani 1 1 d . . . . .
H36 H 0.8974 0.5625 0.4994 0.053 Uiso 1 1 calc R U . . .
C24 C 0.94104(18) 0.74008(16) 0.44908(13) 0.0541(4) Uani 1 1 d . . . . .
H35 H 1.0234 0.7297 0.4179 0.065 Uiso 1 1 calc R U . . .
C25 C 0.89350(19) 0.85560(16) 0.44618(13) 0.0558(4) Uani 1 1 d . . . . .
H24 H 0.9445 0.9234 0.4134 0.067 Uiso 1 1 calc R U . . .
C26 C 0.77154(17) 0.87137(14) 0.49125(13) 0.0490(4) Uani 1 1 d . . . . .
H34 H 0.7393 0.9499 0.4882 0.059 Uiso 1 1 calc R U . . .
C27 C 0.69640(15) 0.77001(12) 0.54148(11) 0.0380(3) Uani 1 1 d . . . . .
C28 C 0.45174(15) 0.47497(13) 0.70707(11) 0.0393(3) Uani 1 1 d . . . . .
C29 C 0.56133(15) 0.45532(13) 0.85399(11) 0.0420(4) Uani 1 1 d . . . . .
C30 C 0.61548(14) 0.55627(12) 0.77851(10) 0.0346(3) Uani 1 1 d . . . . .
C31 C 0.71439(16) 0.61344(14) 0.80796(12) 0.0448(4) Uani 1 1 d . . . . .
H29 H 0.7526 0.6819 0.7586 0.054 Uiso 1 1 calc R U . . .
C32 C 0.75643(19) 0.56709(17) 0.91286(14) 0.0588(5) Uani 1 1 d . . . . .
H26 H 0.8224 0.6057 0.9339 0.071 Uiso 1 1 calc R U . . .
C33 C 0.7015(2) 0.46461(19) 0.98597(14) 0.0641(5) Uani 1 1 d . . . . .
H27 H 0.7320 0.4342 1.0556 0.077 Uiso 1 1 calc R U . . .
C34 C 0.60239(19) 0.40676(16) 0.95749(12) 0.0579(5) Uani 1 1 d . . . . .
H28 H 0.5648 0.3376 1.0064 0.070 Uiso 1 1 calc R U . . .
C35 C 0.1179(2) 0.7647(2) 0.68635(19) 0.0781(6) Uani 1 1 d . . . . .
H31 H 0.0293 0.7549 0.6693 0.094 Uiso 1 1 calc R U . . .
C36 C 0.22899(17) 0.72983(16) 0.63780(15) 0.0608(5) Uani 1 1 d . . . . .
H32 H 0.2145 0.6981 0.5871 0.073 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 1.3799(17) . ?
O1 H1 0.70(2) . ?
O2 C27 1.3766(17) . ?
O2 C7 1.4275(17) . ?
O3 C28 1.3733(17) . ?
O3 C29 1.3921(18) . ?
O4 C28 1.1860(17) . ?
C1 C17 1.400(2) . ?
C1 C2 1.403(2) . ?
C2 C3 1.3883(19) . ?
C2 C12 1.539(2) . ?
C3 C4 1.3837(19) . ?
C3 H12 0.9300 . ?
C4 C16 1.3837(19) . ?
C4 C5 1.5264(17) . ?
C5 C22 1.5139(18) . ?
C5 C6 1.5607(19) . ?
C5 H23 0.9800 . ?
C6 C30 1.4979(18) . ?
C6 C28 1.5196(19) . ?
C6 C7 1.5489(18) . ?
C7 C8 1.504(2) . ?
C7 H25 0.9800 . ?
C8 C36 1.380(2) . ?
C8 C9 1.386(2) . ?
C9 C10 1.375(2) . ?
C9 H33 0.9300 . ?
C10 C11 1.375(3) . ?
C10 H30 0.9300 . ?
C11 C35 1.372(3) . ?
C11 H2 0.9300 . ?
C12 C15 1.522(3) . ?
C12 C13 1.523(2) . ?
C12 C14 1.525(3) . ?
C13 H4 0.9600 . ?
C13 H3 0.9600 . ?
C13 H5 0.9600 . ?
C14 H7 0.9600 . ?
C14 H8 0.9600 . ?
C14 H6 0.9600 . ?
C15 H9 0.9600 . ?
C15 H10 0.9600 . ?
C15 H11 0.9600 . ?
C16 C17 1.3906(19) . ?
C16 H22 0.9300 . ?
C17 C18 1.535(2) . ?
C18 C20 1.529(2) . ?
C18 C19 1.542(2) . ?
C18 C21 1.545(2) . ?
C19 H15 0.9600 . ?
C19 H13 0.9600 . ?
C19 H14 0.9600 . ?
C20 H18 0.9600 . ?
C20 H17 0.9600 . ?
C20 H16 0.9600 . ?
C21 H21 0.9600 . ?
C21 H20 0.9600 . ?
C21 H19 0.9600 . ?
C22 C23 1.389(2) . ?
C22 C27 1.3933(19) . ?
C23 C24 1.377(2) . ?
C23 H36 0.9300 . ?
C24 C25 1.377(2) . ?
C24 H35 0.9300 . ?
C25 C26 1.371(2) . ?
C25 H24 0.9300 . ?
C26 C27 1.387(2) . ?
C26 H34 0.9300 . ?
C29 C34 1.370(2) . ?
C29 C30 1.377(2) . ?
C30 C31 1.373(2) . ?
C31 C32 1.391(2) . ?
C31 H29 0.9300 . ?
C32 C33 1.378(3) . ?
C32 H26 0.9300 . ?
C33 C34 1.374(3) . ?
C33 H27 0.9300 . ?
C34 H28 0.9300 . ?
C35 C36 1.384(3) . ?
C35 H31 0.9300 . ?
C36 H32 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 H1 119(2) . . ?
C27 O2 C7 116.07(10) . . ?
C28 O3 C29 107.75(11) . . ?
O1 C1 C17 119.92(14) . . ?
O1 C1 C2 116.88(13) . . ?
C17 C1 C2 123.19(12) . . ?
C3 C2 C1 116.22(13) . . ?
C3 C2 C12 121.10(13) . . ?
C1 C2 C12 122.63(12) . . ?
C4 C3 C2 123.05(13) . . ?
C4 C3 H12 118.5 . . ?
C2 C3 H12 118.5 . . ?
C3 C4 C16 118.25(12) . . ?
C3 C4 C5 118.42(12) . . ?
C16 C4 C5 122.68(11) . . ?
C22 C5 C4 116.39(11) . . ?
C22 C5 C6 109.26(10) . . ?
C4 C5 C6 109.57(10) . . ?
C22 C5 H23 107.1 . . ?
C4 C5 H23 107.1 . . ?
C6 C5 H23 107.1 . . ?
C30 C6 C28 101.91(11) . . ?
C30 C6 C7 115.91(10) . . ?
C28 C6 C7 109.62(11) . . ?
C30 C6 C5 113.71(11) . . ?
C28 C6 C5 107.94(10) . . ?
C7 C6 C5 107.38(10) . . ?
O2 C7 C8 107.97(11) . . ?
O2 C7 C6 109.02(11) . . ?
C8 C7 C6 115.36(11) . . ?
O2 C7 H25 108.1 . . ?
C8 C7 H25 108.1 . . ?
C6 C7 H25 108.1 . . ?
C36 C8 C9 118.78(15) . . ?
C36 C8 C7 119.63(15) . . ?
C9 C8 C7 121.58(14) . . ?
C10 C9 C8 120.59(17) . . ?
C10 C9 H33 119.7 . . ?
C8 C9 H33 119.7 . . ?
C9 C10 C11 120.02(19) . . ?
C9 C10 H30 120.0 . . ?
C11 C10 H30 120.0 . . ?
C35 C11 C10 120.19(18) . . ?
C35 C11 H2 119.9 . . ?
C10 C11 H2 119.9 . . ?
C15 C12 C13 106.69(17) . . ?
C15 C12 C14 109.88(17) . . ?
C13 C12 C14 108.35(16) . . ?
C15 C12 C2 109.63(15) . . ?
C13 C12 C2 111.51(12) . . ?
C14 C12 C2 110.68(14) . . ?
C12 C13 H4 109.5 . . ?
C12 C13 H3 109.5 . . ?
H4 C13 H3 109.5 . . ?
C12 C13 H5 109.5 . . ?
H4 C13 H5 109.5 . . ?
H3 C13 H5 109.5 . . ?
C12 C14 H7 109.5 . . ?
C12 C14 H8 109.5 . . ?
H7 C14 H8 109.5 . . ?
C12 C14 H6 109.5 . . ?
H7 C14 H6 109.5 . . ?
H8 C14 H6 109.5 . . ?
C12 C15 H9 109.5 . . ?
C12 C15 H10 109.5 . . ?
H9 C15 H10 109.5 . . ?
C12 C15 H11 109.5 . . ?
H9 C15 H11 109.5 . . ?
H10 C15 H11 109.5 . . ?
C4 C16 C17 122.39(12) . . ?
C4 C16 H22 118.8 . . ?
C17 C16 H22 118.8 . . ?
C16 C17 C1 116.84(13) . . ?
C16 C17 C18 120.88(13) . . ?
C1 C17 C18 122.22(12) . . ?
C20 C18 C17 111.49(12) . . ?
C20 C18 C19 106.50(14) . . ?
C17 C18 C19 109.62(14) . . ?
C20 C18 C21 106.31(14) . . ?
C17 C18 C21 111.76(13) . . ?
C19 C18 C21 111.01(14) . . ?
C18 C19 H15 109.5 . . ?
C18 C19 H13 109.5 . . ?
H15 C19 H13 109.5 . . ?
C18 C19 H14 109.5 . . ?
H15 C19 H14 109.5 . . ?
H13 C19 H14 109.5 . . ?
C18 C20 H18 109.5 . . ?
C18 C20 H17 109.5 . . ?
H18 C20 H17 109.5 . . ?
C18 C20 H16 109.5 . . ?
H18 C20 H16 109.5 . . ?
H17 C20 H16 109.5 . . ?
C18 C21 H21 109.5 . . ?
C18 C21 H20 109.5 . . ?
H21 C21 H20 109.5 . . ?
C18 C21 H19 109.5 . . ?
H21 C21 H19 109.5 . . ?
H20 C21 H19 109.5 . . ?
C23 C22 C27 117.27(13) . . ?
C23 C22 C5 121.72(12) . . ?
C27 C22 C5 120.96(12) . . ?
C24 C23 C22 121.98(14) . . ?
C24 C23 H36 119.0 . . ?
C22 C23 H36 119.0 . . ?
C23 C24 C25 119.37(15) . . ?
C23 C24 H35 120.3 . . ?
C25 C24 H35 120.3 . . ?
C26 C25 C24 120.44(15) . . ?
C26 C25 H24 119.8 . . ?
C24 C25 H24 119.8 . . ?
C25 C26 C27 119.84(14) . . ?
C25 C26 H34 120.1 . . ?
C27 C26 H34 120.1 . . ?
O2 C27 C26 115.79(12) . . ?
O2 C27 C22 123.12(13) . . ?
C26 C27 C22 121.07(14) . . ?
O4 C28 O3 121.63(14) . . ?
O4 C28 C6 128.42(13) . . ?
O3 C28 C6 109.94(12) . . ?
C34 C29 C30 123.53(16) . . ?
C34 C29 O3 123.74(14) . . ?
C30 C29 O3 112.72(12) . . ?
C31 C30 C29 118.80(13) . . ?
C31 C30 C6 133.60(13) . . ?
C29 C30 C6 107.41(12) . . ?
C30 C31 C32 118.80(15) . . ?
C30 C31 H29 120.6 . . ?
C32 C31 H29 120.6 . . ?
C33 C32 C31 120.80(17) . . ?
C33 C32 H26 119.6 . . ?
C31 C32 H26 119.6 . . ?
C34 C33 C32 120.92(16) . . ?
C34 C33 H27 119.5 . . ?
C32 C33 H27 119.5 . . ?
C29 C34 C33 117.13(16) . . ?
C29 C34 H28 121.4 . . ?
C33 C34 H28 121.4 . . ?
C11 C35 C36 119.8(2) . . ?
C11 C35 H31 120.1 . . ?
C36 C35 H31 120.1 . . ?
C8 C36 C35 120.61(19) . . ?
C8 C36 H32 119.7 . . ?
C35 C36 H32 119.7 . . ?

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 C1 C2 C3 -179.88(14) . . . . ?
C17 C1 C2 C3 0.5(2) . . . . ?
O1 C1 C2 C12 2.6(2) . . . . ?
C17 C1 C2 C12 -177.08(14) . . . . ?
C1 C2 C3 C4 -2.4(2) . . . . ?
C12 C2 C3 C4 175.26(13) . . . . ?
C2 C3 C4 C16 2.5(2) . . . . ?
C2 C3 C4 C5 -168.50(12) . . . . ?
C3 C4 C5 C22 -152.16(12) . . . . ?
C16 C4 C5 C22 37.23(17) . . . . ?
C3 C4 C5 C6 83.28(14) . . . . ?
C16 C4 C5 C6 -87.33(15) . . . . ?
C22 C5 C6 C30 -80.69(13) . . . . ?
C4 C5 C6 C30 47.92(14) . . . . ?
C22 C5 C6 C28 167.03(10) . . . . ?
C4 C5 C6 C28 -64.36(14) . . . . ?
C22 C5 C6 C7 48.92(14) . . . . ?
C4 C5 C6 C7 177.53(10) . . . . ?
C27 O2 C7 C8 176.60(11) . . . . ?
C27 O2 C7 C6 50.58(15) . . . . ?
C30 C6 C7 O2 62.07(15) . . . . ?
C28 C6 C7 O2 176.69(11) . . . . ?
C5 C6 C7 O2 -66.29(13) . . . . ?
C30 C6 C7 C8 -59.57(17) . . . . ?
C28 C6 C7 C8 55.05(15) . . . . ?
C5 C6 C7 C8 172.07(11) . . . . ?
O2 C7 C8 C36 137.82(14) . . . . ?
C6 C7 C8 C36 -99.98(16) . . . . ?
O2 C7 C8 C9 -41.06(17) . . . . ?
C6 C7 C8 C9 81.14(17) . . . . ?
C36 C8 C9 C10 0.7(2) . . . . ?
C7 C8 C9 C10 179.61(14) . . . . ?
C8 C9 C10 C11 0.5(3) . . . . ?
C9 C10 C11 C35 -0.9(3) . . . . ?
C3 C2 C12 C15 -116.71(17) . . . . ?
C1 C2 C12 C15 60.7(2) . . . . ?
C3 C2 C12 C13 1.2(2) . . . . ?
C1 C2 C12 C13 178.67(16) . . . . ?
C3 C2 C12 C14 121.92(17) . . . . ?
C1 C2 C12 C14 -60.6(2) . . . . ?
C3 C4 C16 C17 -0.8(2) . . . . ?
C5 C4 C16 C17 169.83(12) . . . . ?
C4 C16 C17 C1 -0.9(2) . . . . ?
C4 C16 C17 C18 -178.11(13) . . . . ?
O1 C1 C17 C16 -178.55(14) . . . . ?
C2 C1 C17 C16 1.1(2) . . . . ?
O1 C1 C17 C18 -1.4(2) . . . . ?
C2 C1 C17 C18 178.22(13) . . . . ?
C16 C17 C18 C20 -3.8(2) . . . . ?
C1 C17 C18 C20 179.15(14) . . . . ?
C16 C17 C18 C19 113.85(15) . . . . ?
C1 C17 C18 C19 -63.18(19) . . . . ?
C16 C17 C18 C21 -122.64(16) . . . . ?
C1 C17 C18 C21 60.3(2) . . . . ?
C4 C5 C22 C23 38.69(17) . . . . ?
C6 C5 C22 C23 163.41(12) . . . . ?
C4 C5 C22 C27 -143.94(13) . . . . ?
C6 C5 C22 C27 -19.22(17) . . . . ?
C27 C22 C23 C24 2.0(2) . . . . ?
C5 C22 C23 C24 179.45(14) . . . . ?
C22 C23 C24 C25 -1.0(3) . . . . ?
C23 C24 C25 C26 -0.6(3) . . . . ?
C24 C25 C26 C27 0.9(3) . . . . ?
C7 O2 C27 C26 162.66(13) . . . . ?
C7 O2 C27 C22 -18.53(19) . . . . ?
C25 C26 C27 O2 179.00(14) . . . . ?
C25 C26 C27 C22 0.2(2) . . . . ?
C23 C22 C27 O2 179.67(12) . . . . ?
C5 C22 C27 O2 2.2(2) . . . . ?
C23 C22 C27 C26 -1.6(2) . . . . ?
C5 C22 C27 C26 -179.07(13) . . . . ?
C29 O3 C28 O4 180.00(13) . . . . ?
C29 O3 C28 C6 1.33(15) . . . . ?
C30 C6 C28 O4 177.47(14) . . . . ?
C7 C6 C28 O4 54.16(19) . . . . ?
C5 C6 C28 O4 -62.51(18) . . . . ?
C30 C6 C28 O3 -3.97(13) . . . . ?
C7 C6 C28 O3 -127.29(12) . . . . ?
C5 C6 C28 O3 116.05(12) . . . . ?
C28 O3 C29 C34 -177.13(13) . . . . ?
C28 O3 C29 C30 2.26(16) . . . . ?
C34 C29 C30 C31 -1.2(2) . . . . ?
O3 C29 C30 C31 179.46(12) . . . . ?
C34 C29 C30 C6 174.52(14) . . . . ?
O3 C29 C30 C6 -4.87(15) . . . . ?
C28 C6 C30 C31 179.90(14) . . . . ?
C7 C6 C30 C31 -61.2(2) . . . . ?
C5 C6 C30 C31 64.02(18) . . . . ?
C28 C6 C30 C29 5.14(13) . . . . ?
C7 C6 C30 C29 124.08(13) . . . . ?
C5 C6 C30 C29 -110.74(13) . . . . ?
C29 C30 C31 C32 0.2(2) . . . . ?
C6 C30 C31 C32 -174.15(14) . . . . ?
C30 C31 C32 C33 0.9(2) . . . . ?
C31 C32 C33 C34 -1.0(3) . . . . ?
C30 C29 C34 C33 1.0(2) . . . . ?
O3 C29 C34 C33 -179.64(14) . . . . ?
C32 C33 C34 C29 0.1(3) . . . . ?
C10 C11 C35 C36 0.1(3) . . . . ?
C9 C8 C36 C35 -1.5(2) . . . . ?
C7 C8 C36 C35 179.56(15) . . . . ?
C11 C35 C36 C8 1.2(3) . . . . ?

_refine_diff_density_max         0.145
_refine_diff_density_min         -0.248
_refine_diff_density_rms         0.050

