# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
# 
#######################################################################

data_202011262
_database_code_depnum_ccdc_archive 'CCDC 2235206'
loop_
_audit_author_name
_audit_author_address
CLY-b
;Qingdao Agricultural University
China
;
_audit_update_record             
;
2023-01-07 deposited with the CCDC.	2023-03-01 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         ?
_chemical_formula_sum            'C32 H40 O2'
_chemical_formula_weight         456.64

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'

_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                   10.3055(7)
_cell_length_b                   11.0412(5)
_cell_length_c                   12.6071(9)
_cell_angle_alpha                86.267(5)
_cell_angle_beta                 81.047(6)
_cell_angle_gamma                77.001(5)
_cell_volume                     1380.02(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    1.099
_exptl_crystal_F_000             496
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.509
_shelx_estimated_absorpt_T_min   0.918
_shelx_estimated_absorpt_T_max   0.951
_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     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9919
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.551
_diffrn_reflns_theta_max         67.073
_diffrn_reflns_theta_full        67.073
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4916
_reflns_number_gt                3489
_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)+(0.0700P)²+0.1013P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4916
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_gt           0.0530
_refine_ls_wR_factor_ref         0.1537
_refine_ls_wR_factor_gt          0.1335
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C1 C 0.2496(2) 1.10344(18) 0.03297(16) 0.0545(5) Uani 1 1 d . . . . .
H1 H 0.2218 1.1727 0.0757 0.065 Uiso 1 1 calc R U . . .
C2 C 0.3455(2) 1.1043(2) -0.05590(18) 0.0620(5) Uani 1 1 d . . . . .
H2 H 0.3815 1.1743 -0.0736 0.074 Uiso 1 1 calc R U . . .
C3 C 0.3882(2) 1.0012(2) -0.11864(16) 0.0572(5) Uani 1 1 d . . . . .
H3 H 0.4535 1.0031 -0.1783 0.069 Uiso 1 1 calc R U . . .
C4 C 0.3376(2) 0.89464(17) -0.09618(14) 0.0471(4) Uani 1 1 d . . . . .
C5 C 0.23784(18) 0.89704(16) -0.00567(13) 0.0418(4) Uani 1 1 d . . . . .
C6 C 0.19385(19) 1.00048(16) 0.05952(13) 0.0435(4) Uani 1 1 d . . . . .
C7 C 0.0913(2) 0.99870(16) 0.15823(14) 0.0472(4) Uani 1 1 d . . . . .
H7A H 0.0027 1.0384 0.1412 0.057 Uiso 1 1 calc R U . . .
H7B H 0.1114 1.0458 0.2136 0.057 Uiso 1 1 calc R U . . .
C8 C 0.09057(18) 0.86447(16) 0.20123(13) 0.0423(4) Uani 1 1 d . . . . .
C9 C 0.07502(19) 0.79457(16) 0.10096(13) 0.0437(4) Uani 1 1 d . . . . .
H9 H -0.0049 0.8412 0.0715 0.052 Uiso 1 1 calc R U . . .
C10 C -0.02797(19) 0.86504(17) 0.28483(14) 0.0468(4) Uani 1 1 d . . . . .
H10 H -0.1122 0.9020 0.2665 0.056 Uiso 1 1 calc R U . . .
C11 C -0.02325(19) 0.81677(17) 0.38417(14) 0.0458(4) Uani 1 1 d . . . . .
C12 C 0.1102(2) 0.7549(2) 0.41566(15) 0.0542(5) Uani 1 1 d . . . . .
C13 C 0.23373(18) 0.75346(15) 0.33592(13) 0.0417(4) Uani 1 1 d . . . . .
C14 C 0.22094(18) 0.80589(16) 0.23921(13) 0.0416(4) Uani 1 1 d . . . . .
H14 H 0.2994 0.8061 0.1915 0.050 Uiso 1 1 calc R U . . .
C15 C 0.3897(2) 0.77917(19) -0.16563(16) 0.0556(5) Uani 1 1 d . . . . .
C16 C 0.4996(3) 0.7997(2) -0.25758(19) 0.0736(7) Uani 1 1 d . . . . .
H16A H 0.4638 0.8685 -0.3029 0.110 Uiso 1 1 calc R U . . .
H16B H 0.5301 0.7261 -0.2990 0.110 Uiso 1 1 calc R U . . .
H16C H 0.5738 0.8174 -0.2284 0.110 Uiso 1 1 calc R U . . .
C17 C 0.2747(3) 0.7492(2) -0.21586(18) 0.0726(7) Uani 1 1 d . . . . .
H17A H 0.2074 0.7294 -0.1600 0.109 Uiso 1 1 calc R U . . .
H17B H 0.3093 0.6795 -0.2615 0.109 Uiso 1 1 calc R U . . .
H17C H 0.2355 0.8201 -0.2575 0.109 Uiso 1 1 calc R U . . .
C18 C 0.4532(3) 0.6676(2) -0.0962(2) 0.0793(8) Uani 1 1 d . . . . .
H18A H 0.5226 0.6892 -0.0634 0.119 Uiso 1 1 calc R U . . .
H18B H 0.4912 0.5974 -0.1408 0.119 Uiso 1 1 calc R U . . .
H18C H 0.3852 0.6469 -0.0414 0.119 Uiso 1 1 calc R U . . .
C19 C 0.0578(2) 0.66351(17) 0.12662(15) 0.0478(4) Uani 1 1 d . . . . .
C20 C -0.0691(2) 0.6403(2) 0.1449(2) 0.0717(7) Uani 1 1 d . . . . .
H20 H -0.1428 0.7043 0.1359 0.086 Uiso 1 1 calc R U . . .
C21 C -0.0889(3) 0.5224(3) 0.1768(3) 0.0969(10) Uani 1 1 d . . . . .
H21 H -0.1756 0.5081 0.1895 0.116 Uiso 1 1 calc R U . . .
C22 C 0.0187(3) 0.4269(2) 0.1897(3) 0.0950(10) Uani 1 1 d . . . . .
H22 H 0.0053 0.3479 0.2113 0.114 Uiso 1 1 calc R U . . .
C23 C 0.1459(3) 0.4485(2) 0.1705(3) 0.0810(8) Uani 1 1 d . . . . .
H23 H 0.2193 0.3839 0.1790 0.097 Uiso 1 1 calc R U . . .
C24 C 0.1658(2) 0.56586(19) 0.13843(19) 0.0606(5) Uani 1 1 d . . . . .
H24 H 0.2528 0.5793 0.1246 0.073 Uiso 1 1 calc R U . . .
C25 C -0.1493(2) 0.8191(2) 0.46724(17) 0.0586(5) Uani 1 1 d . . . . .
C26 C -0.2763(2) 0.8901(3) 0.4228(2) 0.0806(7) Uani 1 1 d . . . . .
H26A H -0.2680 0.9738 0.4032 0.121 Uiso 1 1 calc R U . . .
H26B H -0.3534 0.8914 0.4766 0.121 Uiso 1 1 calc R U . . .
H26C H -0.2869 0.8496 0.3606 0.121 Uiso 1 1 calc R U . . .
C27 C -0.1659(3) 0.6860(3) 0.4973(2) 0.0896(9) Uani 1 1 d . . . . .
H27A H -0.1674 0.6438 0.4334 0.134 Uiso 1 1 calc R U . . .
H27B H -0.2487 0.6885 0.5449 0.134 Uiso 1 1 calc R U . . .
H27C H -0.0919 0.6423 0.5324 0.134 Uiso 1 1 calc R U . . .
C28 C -0.1394(3) 0.8856(3) 0.5684(2) 0.0893(9) Uani 1 1 d . . . . .
H28A H -0.0633 0.8408 0.6005 0.134 Uiso 1 1 calc R U . . .
H28B H -0.2200 0.8887 0.6188 0.134 Uiso 1 1 calc R U . . .
H28C H -0.1286 0.9686 0.5489 0.134 Uiso 1 1 calc R U . . .
C29 C 0.3704(2) 0.68877(18) 0.36829(15) 0.0498(4) Uani 1 1 d . . . . .
C30 C 0.3720(3) 0.5501(2) 0.3944(2) 0.0817(8) Uani 1 1 d . . . . .
H30A H 0.3103 0.5423 0.4586 0.123 Uiso 1 1 calc R U . . .
H30B H 0.4611 0.5070 0.4052 0.123 Uiso 1 1 calc R U . . .
H30C H 0.3457 0.5146 0.3358 0.123 Uiso 1 1 calc R U . . .
C31 C 0.3979(3) 0.7499(2) 0.46579(19) 0.0737(7) Uani 1 1 d . . . . .
H31A H 0.3994 0.8355 0.4481 0.111 Uiso 1 1 calc R U . . .
H31B H 0.4833 0.7074 0.4853 0.111 Uiso 1 1 calc R U . . .
H31C H 0.3282 0.7451 0.5250 0.111 Uiso 1 1 calc R U . . .
C32 C 0.4853(2) 0.6955(3) 0.2776(2) 0.0751(7) Uani 1 1 d . . . . .
H32A H 0.4731 0.6544 0.2163 0.113 Uiso 1 1 calc R U . . .
H32B H 0.5693 0.6554 0.3009 0.113 Uiso 1 1 calc R U . . .
H32C H 0.4859 0.7810 0.2585 0.113 Uiso 1 1 calc R U . . .
O1 O 0.18937(14) 0.79049(11) 0.01913(9) 0.0485(3) Uani 1 1 d . . . . .
O2 O 0.1186(2) 0.7070(2) 0.50472(14) 0.1048(8) Uani 1 1 d . . . . .


_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
C1 C2 1.375(3) . ?
C1 C6 1.385(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.379(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.387(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.409(3) . ?
C4 C15 1.540(3) . ?
C5 O1 1.378(2) . ?
C5 C6 1.399(2) . ?
C6 C7 1.504(2) . ?
C7 C8 1.546(2) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C10 1.483(2) . ?
C8 C14 1.491(2) . ?
C8 C9 1.570(2) . ?
C9 O1 1.435(2) . ?
C9 C19 1.505(2) . ?
C9 H9 0.9800 . ?
C10 C11 1.332(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.492(3) . ?
C11 C25 1.533(3) . ?
C12 O2 1.217(2) . ?
C12 C13 1.492(3) . ?
C13 C14 1.328(2) . ?
C13 C29 1.533(3) . ?
C14 H14 0.9300 . ?
C15 C17 1.533(3) . ?
C15 C16 1.534(3) . ?
C15 C18 1.545(3) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.371(3) . ?
C19 C24 1.383(3) . ?
C20 C21 1.387(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.369(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.366(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.382(3) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.533(4) . ?
C25 C27 1.534(3) . ?
C25 C28 1.540(3) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C32 1.524(3) . ?
C29 C31 1.532(3) . ?
C29 C30 1.542(3) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 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
C2 C1 C6 120.74(19) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C1 C2 C3 119.78(19) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C4 122.49(19) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 H3 118.8 . . ?
C3 C4 C5 116.52(18) . . ?
C3 C4 C15 121.56(18) . . ?
C5 C4 C15 121.91(17) . . ?
O1 C5 C6 121.03(16) . . ?
O1 C5 C4 117.02(16) . . ?
C6 C5 C4 121.88(17) . . ?
C1 C6 C5 118.59(17) . . ?
C1 C6 C7 120.57(17) . . ?
C5 C6 C7 120.82(16) . . ?
C6 C7 C8 111.52(14) . . ?
C6 C7 H7A 109.3 . . ?
C8 C7 H7A 109.3 . . ?
C6 C7 H7B 109.3 . . ?
C8 C7 H7B 109.3 . . ?
H7A C7 H7B 108.0 . . ?
C10 C8 C14 113.34(14) . . ?
C10 C8 C7 109.71(15) . . ?
C14 C8 C7 110.44(15) . . ?
C10 C8 C9 109.28(15) . . ?
C14 C8 C9 109.42(14) . . ?
C7 C8 C9 104.25(13) . . ?
O1 C9 C19 108.21(14) . . ?
O1 C9 C8 110.71(15) . . ?
C19 C9 C8 113.67(14) . . ?
O1 C9 H9 108.0 . . ?
C19 C9 H9 108.0 . . ?
C8 C9 H9 108.0 . . ?
C11 C10 C8 125.14(18) . . ?
C11 C10 H10 117.4 . . ?
C8 C10 H10 117.4 . . ?
C10 C11 C12 118.78(17) . . ?
C10 C11 C25 122.95(19) . . ?
C12 C11 C25 118.25(17) . . ?
O2 C12 C11 120.9(2) . . ?
O2 C12 C13 120.4(2) . . ?
C11 C12 C13 118.72(15) . . ?
C14 C13 C12 118.89(17) . . ?
C14 C13 C29 122.57(17) . . ?
C12 C13 C29 118.53(15) . . ?
C13 C14 C8 125.05(16) . . ?
C13 C14 H14 117.5 . . ?
C8 C14 H14 117.5 . . ?
C17 C15 C16 107.59(19) . . ?
C17 C15 C4 110.33(18) . . ?
C16 C15 C4 111.56(18) . . ?
C17 C15 C18 110.7(2) . . ?
C16 C15 C18 106.94(19) . . ?
C4 C15 C18 109.67(16) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 118.4(2) . . ?
C20 C19 C9 119.42(18) . . ?
C24 C19 C9 122.12(18) . . ?
C19 C20 C21 120.8(2) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C22 C21 C20 120.3(3) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C21 119.5(2) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C22 C23 C24 120.3(2) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C19 120.8(2) . . ?
C23 C24 H24 119.6 . . ?
C19 C24 H24 119.6 . . ?
C26 C25 C11 111.16(18) . . ?
C26 C25 C27 108.0(2) . . ?
C11 C25 C27 110.02(19) . . ?
C26 C25 C28 107.3(2) . . ?
C11 C25 C28 110.28(18) . . ?
C27 C25 C28 110.0(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C32 C29 C31 107.6(2) . . ?
C32 C29 C13 111.64(16) . . ?
C31 C29 C13 110.81(17) . . ?
C32 C29 C30 107.5(2) . . ?
C31 C29 C30 110.02(18) . . ?
C13 C29 C30 109.28(17) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C5 O1 C9 118.69(14) . . ?

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
C6 C1 C2 C3 -0.9(3) . . . . ?
C1 C2 C3 C4 0.3(3) . . . . ?
C2 C3 C4 C5 0.7(3) . . . . ?
C2 C3 C4 C15 -178.3(2) . . . . ?
C3 C4 C5 O1 -178.29(16) . . . . ?
C15 C4 C5 O1 0.7(3) . . . . ?
C3 C4 C5 C6 -1.2(3) . . . . ?
C15 C4 C5 C6 177.79(17) . . . . ?
C2 C1 C6 C5 0.4(3) . . . . ?
C2 C1 C6 C7 178.55(19) . . . . ?
O1 C5 C6 C1 177.65(16) . . . . ?
C4 C5 C6 C1 0.7(3) . . . . ?
O1 C5 C6 C7 -0.5(3) . . . . ?
C4 C5 C6 C7 -177.48(16) . . . . ?
C1 C6 C7 C8 -154.15(17) . . . . ?
C5 C6 C7 C8 24.0(2) . . . . ?
C6 C7 C8 C10 -169.23(15) . . . . ?
C6 C7 C8 C14 65.14(19) . . . . ?
C6 C7 C8 C9 -52.30(19) . . . . ?
C10 C8 C9 O1 -179.02(14) . . . . ?
C14 C8 C9 O1 -54.38(18) . . . . ?
C7 C8 C9 O1 63.76(17) . . . . ?
C10 C8 C9 C19 -57.0(2) . . . . ?
C14 C8 C9 C19 67.66(19) . . . . ?
C7 C8 C9 C19 -174.21(15) . . . . ?
C14 C8 C10 C11 -1.3(3) . . . . ?
C7 C8 C10 C11 -125.3(2) . . . . ?
C9 C8 C10 C11 121.0(2) . . . . ?
C8 C10 C11 C12 -1.0(3) . . . . ?
C8 C10 C11 C25 -179.54(18) . . . . ?
C10 C11 C12 O2 -178.2(2) . . . . ?
C25 C11 C12 O2 0.4(3) . . . . ?
C10 C11 C12 C13 2.1(3) . . . . ?
C25 C11 C12 C13 -179.24(17) . . . . ?
O2 C12 C13 C14 179.6(2) . . . . ?
C11 C12 C13 C14 -0.8(3) . . . . ?
O2 C12 C13 C29 0.9(3) . . . . ?
C11 C12 C13 C29 -179.45(16) . . . . ?
C12 C13 C14 C8 -1.8(3) . . . . ?
C29 C13 C14 C8 176.80(16) . . . . ?
C10 C8 C14 C13 2.9(3) . . . . ?
C7 C8 C14 C13 126.42(18) . . . . ?
C9 C8 C14 C13 -119.37(19) . . . . ?
C3 C4 C15 C17 -119.4(2) . . . . ?
C5 C4 C15 C17 61.6(2) . . . . ?
C3 C4 C15 C16 0.1(3) . . . . ?
C5 C4 C15 C16 -178.86(19) . . . . ?
C3 C4 C15 C18 118.4(2) . . . . ?
C5 C4 C15 C18 -60.6(3) . . . . ?
O1 C9 C19 C20 -140.3(2) . . . . ?
C8 C9 C19 C20 96.3(2) . . . . ?
O1 C9 C19 C24 43.4(2) . . . . ?
C8 C9 C19 C24 -80.0(2) . . . . ?
C24 C19 C20 C21 1.4(4) . . . . ?
C9 C19 C20 C21 -175.0(2) . . . . ?
C19 C20 C21 C22 -0.5(5) . . . . ?
C20 C21 C22 C23 -0.2(6) . . . . ?
C21 C22 C23 C24 0.1(5) . . . . ?
C22 C23 C24 C19 0.9(4) . . . . ?
C20 C19 C24 C23 -1.6(4) . . . . ?
C9 C19 C24 C23 174.7(2) . . . . ?
C10 C11 C25 C26 -3.5(3) . . . . ?
C12 C11 C25 C26 177.97(19) . . . . ?
C10 C11 C25 C27 116.1(2) . . . . ?
C12 C11 C25 C27 -62.4(3) . . . . ?
C10 C11 C25 C28 -122.4(2) . . . . ?
C12 C11 C25 C28 59.1(3) . . . . ?
C14 C13 C29 C32 1.1(3) . . . . ?
C12 C13 C29 C32 179.76(19) . . . . ?
C14 C13 C29 C31 121.0(2) . . . . ?
C12 C13 C29 C31 -60.4(2) . . . . ?
C14 C13 C29 C30 -117.6(2) . . . . ?
C12 C13 C29 C30 61.0(2) . . . . ?
C6 C5 O1 C9 11.6(2) . . . . ?
C4 C5 O1 C9 -171.32(15) . . . . ?
C19 C9 O1 C5 -169.93(14) . . . . ?
C8 C9 O1 C5 -44.75(19) . . . . ?

_refine_diff_density_max         0.159
_refine_diff_density_min         -0.184
_refine_diff_density_rms         0.039

