# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 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_1_a
_database_code_depnum_ccdc_archive 'CCDC 2204238'
loop_
_audit_author_name
_audit_author_address
'Liu Shihui'
;Harbin Institute of Technology
China
;
_audit_update_record             
;
2022-08-30 deposited with the CCDC.	2023-04-08 downloaded from the CCDC.
;
_audit_creation_date             2022-08-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6396)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C120 H194 S8 Si2'
_chemical_formula_sum            'C120 H194 S8 Si2'
_chemical_formula_weight         1949.40
_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 0.0137 0.0067 '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'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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                   9.0909(12)
_cell_length_b                   46.860(6)
_cell_length_c                   27.679(4)
_cell_angle_alpha                90
_cell_angle_beta                 94.973(4)
_cell_angle_gamma                90
_cell_volume                     11747(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9807
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      51.406
_cell_measurement_theta_min      2.788
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.267
_exptl_absorpt_correction_T_max  0.7501
_exptl_absorpt_correction_T_min  0.4805
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1808 before and 0.0807 after correction.
The Ratio of minimum to maximum transmission is 0.6406.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.102
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             4280
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0644
_diffrn_reflns_av_unetI/netI     0.0598
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       54
_diffrn_reflns_limit_k_min       -54
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            75284
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        51.595
_diffrn_reflns_theta_max         51.595
_diffrn_reflns_theta_min         1.640
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19977099999999998
_diffrn_source_voltage           69.85
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13748
_reflns_number_total             18942
_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         0.864
_refine_diff_density_min         -0.621
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1250
_refine_ls_number_reflns         18942
_refine_ls_number_restraints     640
_refine_ls_R_factor_all          0.1128
_refine_ls_R_factor_gt           0.0880
_refine_ls_restrained_S_all      1.141
_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)+(0.1863P)²+4.4308P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2649
_refine_ls_wR_factor_ref         0.2949
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C16A-C15A = C17A-C16A = C18A-C17A = C19A-C18A = C19A-C18' = C18'-C17A
 1.54 with sigma of 0.001
 C20B-C19B = C21B-C20B = C22B-C21B = C23B-C22B = C22B-C21' = C21'-C20'
 1.54 with sigma of 0.001
 C20A-C19A = C49-C20A = C21A-C20A = C22A-C49 = C22A-C21A = C23A-C22A = C24A-C23A
 1.54 with sigma of 0.001
 C50-C23B = C24B-C23B = C23B-C22B
 1.54 with sigma of 0.001
 C23A-C24'
 1.54 with sigma of 0.001
 C19B-C20'
 1.54 with sigma of 0.001
 C10B-C11B
 1.45 with sigma of 0.001
3. Uiso/Uaniso restraints and constraints
C17B \\sim C18B \\sim C19B \\sim C20B \\sim C21B \\sim C22B \\sim C23B \\sim
C24B \\sim C20' \\sim C21' \\sim C50: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C13A \\sim C14A \\sim C15A \\sim C16A \\sim C20A \\sim C21A \\sim C19A \\sim
C17A \\sim C22A \\sim C18A \\sim C23A \\sim C24A \\sim C49 \\sim C18' \\sim
C24': within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
2A
C13C \\sim C14C \\sim C17C \\sim C18C \\sim C19C \\sim C15C \\sim C20C \\sim
C16C \\sim C21C \\sim C22C \\sim C23C \\sim C24C: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
C2B \\sim C3B \\sim C5B \\sim C4B \\sim C6B \\sim C7B \\sim C8B \\sim C9B \\sim
C12B \\sim C10B \\sim C11B: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
4. Rigid body (RIGU) restrains
 C13A, C14A, C15A, C16A, C20A, C21A, C19A, C17A, C22A, C18A, C23A, C24A, C49,
 C18', C24'
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C17B, C16B, C18B, C19B, C20B, C21B, C22B, C23B, C24B, C20', C21', C50
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C14C, C17C, C18C, C19C, C15C, C20C, C16C, C21C, C22C, C23C, C24C
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C2B, C3B, C5B, C4B, C6B, C7B, C8B, C9B, C12B, C10B, C11B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Others
 Sof(H19I)=Sof(H19J)=Sof(H17G)=Sof(H17H)=Sof(C18')=Sof(H18J)=Sof(H18K)=1-FVAR(1)
 Sof(H19G)=Sof(H19H)=Sof(H17E)=Sof(H17F)=Sof(C18A)=Sof(H18H)=Sof(H18I)=FVAR(1)
 Sof(H20E)=Sof(H20F)=Sof(H22I)=Sof(H22J)=Sof(C49)=Sof(H49A)=Sof(H49B)=1-FVAR(2)
 Sof(H20C)=Sof(H20D)=Sof(C21A)=Sof(H21E)=Sof(H21F)=Sof(H22G)=Sof(H22H)=FVAR(2)
 Sof(H23I)=Sof(H23J)=Sof(C24')=Sof(H24J)=Sof(H24K)=Sof(H24L)=1-FVAR(3)
 Sof(H23G)=Sof(H23H)=Sof(C24A)=Sof(H24G)=Sof(H24H)=Sof(H24I)=FVAR(3)
 Sof(H19E)=Sof(H19F)=Sof(H22E)=Sof(H22F)=Sof(C20')=Sof(H20I)=Sof(H20J)=
 Sof(C21')=Sof(H21G)=Sof(H21H)=1-FVAR(4)
 Sof(H19C)=Sof(H19D)=Sof(C20B)=Sof(H20G)=Sof(H20H)=Sof(C21B)=Sof(H21C)=
 Sof(H21D)=Sof(H22C)=Sof(H22D)=FVAR(4)
 Sof(H23E)=Sof(H23F)=Sof(C50)=Sof(H50A)=Sof(H50B)=Sof(H50C)=1-FVAR(5)
 Sof(H23C)=Sof(H23D)=Sof(C24B)=Sof(H24D)=Sof(H24E)=Sof(H24F)=FVAR(5)
6.a Ternary CH refined with riding coordinates:
 C9(H9), C3(H3), C6(H6), C13(H13), C17(H17), C10(H10)
6.b Secondary CH2 refined with riding coordinates:
 C13C(H13A,H13B), C1C(H1CA,H1CB), C13B(H13C,H13D), C4C(H4CA,H4CB), C2C(H2CA,
 H2CB), C1B(H1BA,H1BB), C14C(H14A,H14B), C14B(H14C,H14D), C6C(H6CA,H6CB),
 C5C(H5CA,H5CB), C3C(H3CA,H3CB), C2B(H2BA,H2BB), C17C(H17A,H17B), C18C(H18A,
 H18B), C19C(H19A,H19B), C15C(H15A,H15B), C20C(H20A,H20B), C7C(H7CA,H7CB),
 C16C(H16A,H16B), C1A(H1AA,H1AB), C15B(H15C,H15D), C13A(H13E,H13F), C17B(H17C,
 H17D), C2A(H2AA,H2AB), C3B(H3BA,H3BB), C16B(H16C,H16D), C14A(H14E,H14F),
 C8C(H8CA,H8CB), C3A(H3AA,H3AB), C18B(H18C,H18D), C4A(H4AA,H4AB), C5B(H5BA,
 H5BB), C6A(H6AA,H6AB), C9C(H9CA,H9CB), C4B(H4BA,H4BB), C7A(H7AA,H7AB),
 C5A(H5AA,H5AB), C6B(H6BA,H6BB), C21C(H21A,H21B), C7B(H7BA,H7BB), C8B(H8BA,
 H8BB), C19B(H19C,H19D), C19B(H19E,H19F), C8A(H8AA,H8AB), C10C(H10A,H10B),
 C11C(H11A,H11B), C15A(H15E,H15F), C11A(H11F,H11G), C16A(H16E,H16F), C9A(H9AA,
 H9AB), C22C(H22A,H22B), C20A(H20C,H20D), C20A(H20E,H20F), C10A(H10C,H10D),
 C9B(H9BA,H9BB), C20B(H20G,H20H), C21B(H21C,H21D), C21A(H21E,H21F), C23C(H23A,
 H23B), C22B(H22C,H22D), C22B(H22E,H22F), C10B(H10E,H10F), C19A(H19G,H19H),
 C19A(H19I,H19J), C17A(H17E,H17F), C17A(H17G,H17H), C22A(H22G,H22H), C22A(H22I,
 H22J), C18A(H18H,H18I), C11B(H11H,H11I), C23B(H23C,H23D), C23B(H23E,H23F),
 C23A(H23G,H23H), C23A(H23I,H23J), C49(H49A,H49B), C18'(H18J,H18K), C20'(H20I,
 H20J), C21'(H21G,H21H)
6.c Aromatic/amide H refined with riding coordinates:
 C41(H41), C20(H20)
6.d Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C1(H1A,H1B,H1C), C4(H4A,H4B,H4C), C8(H8A,H8B,H8C), C2(H2A,
 H2B,H2C), C14(H14G,H14H,H14I), C5(H5A,H5B,H5C), C11(H11C,H11D,H11E), C18(H18E,
 H18F,H18G), C16(H16G,H16H,H16I), C15(H15G,H15H,H15I), C12(H12A,H12B,H12C),
 C12A(H12D,H12E,H12F), C12C(H12G,H12H,H12I), C12B(H12J,H12K,H12L), C24C(H24A,
 H24B,H24C), C24B(H24D,H24E,H24F), C24A(H24G,H24H,H24I), C24'(H24J,H24K,H24L),
 C50(H50A,H50B,H50C)
;
_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
S4 S 0.41909(10) 0.57452(2) 0.51030(3) 0.0455(3) Uani 1 1 d . . . . .
S2 S 0.24888(10) 0.47814(2) 0.68251(3) 0.0456(3) Uani 1 1 d . . . . .
S3 S 0.29033(10) 0.49559(2) 0.56471(3) 0.0429(3) Uani 1 1 d . . . . .
S5 S 0.47050(11) 0.58947(2) 0.39006(4) 0.0483(3) Uani 1 1 d . . . . .
S6 S 0.36501(11) 0.53600(2) 0.27029(3) 0.0489(3) Uani 1 1 d . . . . .
S1 S 0.29649(12) 0.53158(2) 0.80333(4) 0.0540(3) Uani 1 1 d . . . . .
S7 S 0.36911(14) 0.55416(3) 0.14983(4) 0.0645(3) Uani 1 1 d . . . . .
S8 S 0.51900(14) 0.62982(3) 0.09228(4) 0.0681(4) Uani 1 1 d . . . . .
Si1 Si 0.13877(14) 0.49695(3) 0.88270(4) 0.0598(3) Uani 1 1 d . . . . .
Si2 Si 0.46388(17) 0.62151(3) -0.02115(5) 0.0763(4) Uani 1 1 d . . . . .
C48 C 0.3051(4) 0.50280(8) 0.43748(13) 0.0419(8) Uani 1 1 d . . . . .
C46 C 0.3926(4) 0.55898(8) 0.68766(13) 0.0442(9) Uani 1 1 d . . . . .
C32 C 0.3388(4) 0.52414(8) 0.47348(13) 0.0417(8) Uani 1 1 d . . . . .
C45 C 0.4022(4) 0.56676(8) 0.63933(14) 0.0453(9) Uani 1 1 d . . . . .
C47 C 0.3171(4) 0.50947(8) 0.38907(13) 0.0417(8) Uani 1 1 d . . . . .
C13C C 0.2606(4) 0.47327(8) 0.45333(14) 0.0438(9) Uani 1 1 d . U . . .
H13A H 0.311573 0.469346 0.485722 0.053 Uiso 1 1 calc R U . . .
H13B H 0.296356 0.459121 0.430501 0.053 Uiso 1 1 calc R U . . .
C28 C 0.3922(4) 0.54865(8) 0.32944(13) 0.0443(9) Uani 1 1 d . . . . .
C37 C 0.3130(4) 0.51080(8) 0.66237(13) 0.0431(8) Uani 1 1 d . . . . .
C31 C 0.3862(4) 0.55138(8) 0.46112(13) 0.0430(8) Uani 1 1 d . . . . .
C36 C 0.3269(4) 0.51792(8) 0.61387(13) 0.0418(8) Uani 1 1 d . . . . .
C38 C 0.3440(4) 0.53140(8) 0.69910(14) 0.0446(9) Uani 1 1 d . . . . .
C35 C 0.3702(4) 0.54578(8) 0.60221(14) 0.0427(8) Uani 1 1 d . . . . .
C29 C 0.3661(4) 0.53689(8) 0.37640(13) 0.0425(8) Uani 1 1 d . . . . .
C1C C 0.2771(4) 0.48788(8) 0.34895(13) 0.0453(9) Uani 1 1 d . . . . .
H1CA H 0.287466 0.468392 0.362628 0.054 Uiso 1 1 calc R U . . .
H1CB H 0.347661 0.489763 0.323815 0.054 Uiso 1 1 calc R U . . .
C13B C 0.4410(4) 0.57867(9) 0.72987(14) 0.0487(9) Uani 1 1 d . . . . .
H13C H 0.368158 0.577806 0.754421 0.058 Uiso 1 1 calc R U . . .
H13D H 0.445222 0.598587 0.718124 0.058 Uiso 1 1 calc R U . . .
C33 C 0.3330(4) 0.52294(8) 0.52538(13) 0.0426(8) Uani 1 1 d . . . . .
C4C C 0.0280(4) 0.44012(9) 0.31514(14) 0.0499(9) Uani 1 1 d . . . . .
H4CA H -0.056755 0.444129 0.334262 0.060 Uiso 1 1 calc R U . . .
H4CB H 0.111423 0.433642 0.337874 0.060 Uiso 1 1 calc R U . . .
C34 C 0.3735(4) 0.54764(8) 0.55023(13) 0.0416(8) Uani 1 1 d . . . . .
C2C C 0.1187(4) 0.49169(8) 0.32500(14) 0.0460(9) Uani 1 1 d . . . . .
H2CA H 0.049336 0.492731 0.350603 0.055 Uiso 1 1 calc R U . . .
H2CB H 0.112498 0.509949 0.306957 0.055 Uiso 1 1 calc R U . . .
C1B C 0.4484(4) 0.59634(8) 0.62437(15) 0.0472(9) Uani 1 1 d . . . . .
H1BA H 0.421273 0.610276 0.648967 0.057 Uiso 1 1 calc R U . . .
H1BB H 0.392983 0.601370 0.593167 0.057 Uiso 1 1 calc R U . . .
C14C C 0.0949(4) 0.46868(9) 0.45600(14) 0.0484(9) Uani 1 1 d . U . . .
H14A H 0.040891 0.476509 0.426324 0.058 Uiso 1 1 calc R U . . .
H14B H 0.062601 0.479317 0.484122 0.058 Uiso 1 1 calc R U . . .
C41 C 0.1993(4) 0.48096(9) 0.78421(14) 0.0522(10) Uani 1 1 d . . . . .
H41 H 0.158284 0.462438 0.786870 0.063 Uiso 1 1 calc R U . . .
C30 C 0.4035(4) 0.55771(8) 0.41246(14) 0.0448(9) Uani 1 1 d . . . . .
C23 C 0.4903(5) 0.60188(9) 0.18659(15) 0.0555(11) Uani 1 1 d . . . . .
C39 C 0.3095(4) 0.51901(9) 0.74548(13) 0.0458(9) Uani 1 1 d . . . . .
C14B C 0.5936(4) 0.56971(9) 0.75306(14) 0.0523(10) Uani 1 1 d . . . . .
H14C H 0.589312 0.549340 0.762305 0.063 Uiso 1 1 calc R U . . .
H14D H 0.665697 0.571444 0.728381 0.063 Uiso 1 1 calc R U . . .
C6C C -0.0769(5) 0.38944(9) 0.29958(16) 0.0567(10) Uani 1 1 d . . . . .
H6CA H -0.164554 0.394487 0.316652 0.068 Uiso 1 1 calc R U . . .
H6CB H -0.002295 0.380998 0.323605 0.068 Uiso 1 1 calc R U . . .
C27 C 0.4507(4) 0.57592(8) 0.33131(14) 0.0468(9) Uani 1 1 d . . . . .
C5C C -0.0141(5) 0.41629(9) 0.27869(15) 0.0543(10) Uani 1 1 d . . . . .
H5CA H -0.087643 0.423933 0.253524 0.065 Uiso 1 1 calc R U . . .
H5CB H 0.074854 0.411000 0.262438 0.065 Uiso 1 1 calc R U . . .
C3C C 0.0719(4) 0.46741(9) 0.29033(14) 0.0487(9) Uani 1 1 d . . . . .
H3CA H -0.012669 0.473923 0.268117 0.058 Uiso 1 1 calc R U . . .
H3CB H 0.154403 0.463070 0.270401 0.058 Uiso 1 1 calc R U . . .
C25 C 0.4311(4) 0.56792(9) 0.24787(15) 0.0527(10) Uani 1 1 d . . . . .
C40 C 0.2536(4) 0.49164(9) 0.74113(13) 0.0468(9) Uani 1 1 d . . . . .
C43 C 0.5415(5) 0.62164(9) 0.22273(16) 0.0556(11) Uani 1 1 d . . . . .
C2B C 0.6143(4) 0.59891(9) 0.61877(17) 0.0566(10) Uani 1 1 d . U . . .
H2BA H 0.669409 0.593186 0.649672 0.068 Uiso 1 1 calc R U . . .
H2BB H 0.640478 0.585320 0.593491 0.068 Uiso 1 1 calc R U . . .
C24 C 0.4368(5) 0.57475(9) 0.19934(15) 0.0536(10) Uani 1 1 d . . . . .
C17C C 0.0237(4) 0.43025(10) 0.55188(15) 0.0556(9) Uani 1 1 d . U . . .
H17A H 0.018947 0.451219 0.555801 0.067 Uiso 1 1 calc R U . . .
H17B H -0.078363 0.423191 0.544373 0.067 Uiso 1 1 calc R U . . .
C26 C 0.4775(4) 0.58799(9) 0.28421(14) 0.0493(9) Uani 1 1 d . . . . .
C18C C 0.0870(5) 0.41716(10) 0.59896(16) 0.0571(9) Uani 1 1 d . U . . .
H18A H 0.183923 0.426098 0.608399 0.069 Uiso 1 1 calc R U . . .
H18B H 0.104268 0.396587 0.593604 0.069 Uiso 1 1 calc R U . . .
C19C C -0.0105(5) 0.42038(10) 0.64083(16) 0.0582(10) Uani 1 1 d . U . . .
H19A H -0.027280 0.440946 0.646466 0.070 Uiso 1 1 calc R U . . .
H19B H -0.107675 0.411511 0.631461 0.070 Uiso 1 1 calc R U . . .
C15C C 0.0548(5) 0.43708(9) 0.46093(15) 0.0549(9) Uani 1 1 d . U . . .
H15A H 0.093818 0.426344 0.433998 0.066 Uiso 1 1 calc R U . . .
H15B H -0.054034 0.435197 0.457489 0.066 Uiso 1 1 calc R U . . .
C20C C 0.0545(5) 0.40697(11) 0.68761(16) 0.0624(10) Uani 1 1 d . U . . .
H20A H 0.149240 0.416557 0.697752 0.075 Uiso 1 1 calc R U . . .
H20B H 0.076371 0.386669 0.681406 0.075 Uiso 1 1 calc R U . . .
C42 C 0.2124(5) 0.50025(10) 0.82147(15) 0.0579(11) Uani 1 1 d . . . . .
C7C C -0.1207(5) 0.36745(10) 0.26037(18) 0.0655(12) Uani 1 1 d . . . . .
H7CA H -0.183419 0.377043 0.234208 0.079 Uiso 1 1 calc R U . . .
H7CB H -0.029971 0.360968 0.246297 0.079 Uiso 1 1 calc R U . . .
C22 C 0.4750(5) 0.60436(10) 0.13403(16) 0.0591(11) Uani 1 1 d . . . . .
C16C C 0.1145(5) 0.42335(10) 0.50928(15) 0.0564(9) Uani 1 1 d . U . . .
H16A H 0.117023 0.402383 0.505015 0.068 Uiso 1 1 calc R U . . .
H16B H 0.217188 0.429895 0.517365 0.068 Uiso 1 1 calc R U . . .
C44 C 0.5355(4) 0.61457(9) 0.27173(15) 0.0532(10) Uani 1 1 d . . . . .
C1A C 0.5923(5) 0.65090(10) 0.20625(17) 0.0611(11) Uani 1 1 d . . . . .
H1AA H 0.654391 0.659974 0.233128 0.073 Uiso 1 1 calc R U . . .
H1AB H 0.653637 0.648394 0.178702 0.073 Uiso 1 1 calc R U . . .
C15B C 0.6502(5) 0.58680(10) 0.79748(15) 0.0595(11) Uani 1 1 d . . . . .
H15C H 0.580977 0.584109 0.822809 0.071 Uiso 1 1 calc R U . . .
H15D H 0.746726 0.578789 0.810151 0.071 Uiso 1 1 calc R U . . .
C13A C 0.5905(5) 0.63486(9) 0.31202(17) 0.0624(11) Uani 1 1 d . U . . .
H13E H 0.673051 0.646264 0.301084 0.075 Uiso 1 1 calc R U . . .
H13F H 0.629391 0.623571 0.340548 0.075 Uiso 1 1 calc R U . . .
C17B C 0.7760(6) 0.63228(11) 0.82851(16) 0.0704(12) Uani 1 1 d . U . . .
H17C H 0.744276 0.627355 0.860802 0.084 Uiso 1 1 calc R U . . .
H17D H 0.875424 0.623986 0.826388 0.084 Uiso 1 1 calc R U . . .
C19 C 0.4484(6) 0.60975(11) 0.04335(17) 0.0696(13) Uani 1 1 d . . . . .
C21 C 0.4103(5) 0.58136(10) 0.10995(16) 0.0627(12) Uani 1 1 d . . . . .
C9 C -0.0323(5) 0.52000(11) 0.88441(16) 0.0677(13) Uani 1 1 d . . . . .
H9 H -0.075745 0.515626 0.915557 0.081 Uiso 1 1 calc R U . . .
C2A C 0.4626(5) 0.67050(9) 0.19080(18) 0.0638(12) Uani 1 1 d . . . . .
H2AA H 0.407829 0.674660 0.219376 0.077 Uiso 1 1 calc R U . . .
H2AB H 0.394561 0.660421 0.166667 0.077 Uiso 1 1 calc R U . . .
C3B C 0.6644(5) 0.62851(10) 0.60533(18) 0.0660(11) Uani 1 1 d . U . . .
H3BA H 0.593480 0.636327 0.579527 0.079 Uiso 1 1 calc R U . . .
H3BB H 0.761779 0.627047 0.592046 0.079 Uiso 1 1 calc R U . . .
C16B C 0.6692(5) 0.61837(10) 0.78966(16) 0.0632(11) Uani 1 1 d . . . . .
H16C H 0.571695 0.627807 0.789543 0.076 Uiso 1 1 calc R U . . .
H16D H 0.706155 0.621475 0.757464 0.076 Uiso 1 1 calc R U . . .
C14A C 0.4711(6) 0.65520(11) 0.3274(2) 0.0762(12) Uani 1 1 d . U . . .
H14E H 0.421735 0.664372 0.298128 0.091 Uiso 1 1 calc R U . . .
H14F H 0.395817 0.644001 0.342962 0.091 Uiso 1 1 calc R U . . .
C20 C 0.3936(5) 0.58403(11) 0.05902(17) 0.0688(13) Uani 1 1 d . . . . .
H20 H 0.349884 0.569846 0.037859 0.083 Uiso 1 1 calc R U . . .
C3 C 0.0860(5) 0.45799(11) 0.88843(16) 0.0642(12) Uani 1 1 d . . . . .
H3 H 0.021664 0.453357 0.858314 0.077 Uiso 1 1 calc R U . . .
C8C C -0.2024(6) 0.34135(10) 0.27615(18) 0.0683(12) Uani 1 1 d . . . . .
H8CA H -0.291087 0.347561 0.291696 0.082 Uiso 1 1 calc R U . . .
H8CB H -0.137939 0.330759 0.300627 0.082 Uiso 1 1 calc R U . . .
C3A C 0.5099(6) 0.69872(10) 0.16885(19) 0.0685(13) Uani 1 1 d . . . . .
H3AA H 0.570817 0.709629 0.193832 0.082 Uiso 1 1 calc R U . . .
H3AB H 0.571555 0.694626 0.141907 0.082 Uiso 1 1 calc R U . . .
C18B C 0.7876(7) 0.66429(12) 0.82499(17) 0.0835(14) Uani 1 1 d . U . . .
H18C H 0.690176 0.672903 0.829365 0.100 Uiso 1 1 calc R U . . .
H18D H 0.814730 0.669518 0.792262 0.100 Uiso 1 1 calc R U . . .
C4A C 0.3799(6) 0.71662(11) 0.1501(2) 0.0789(15) Uani 1 1 d . . . . .
H4AA H 0.313515 0.718888 0.176394 0.095 Uiso 1 1 calc R U . . .
H4AB H 0.324464 0.706215 0.123265 0.095 Uiso 1 1 calc R U . . .
C7 C -0.1505(6) 0.51256(12) 0.84321(18) 0.0730(13) Uani 1 1 d . . . . .
H7A H -0.115356 0.518038 0.812036 0.109 Uiso 1 1 calc R U . . .
H7B H -0.241799 0.522917 0.847970 0.109 Uiso 1 1 calc R U . . .
H7C H -0.169738 0.491984 0.843360 0.109 Uiso 1 1 calc R U . . .
C1 C 0.2183(6) 0.43708(11) 0.88928(18) 0.0728(13) Uani 1 1 d . . . . .
H1A H 0.275901 0.441098 0.861738 0.109 Uiso 1 1 calc R U . . .
H1B H 0.181508 0.417428 0.887036 0.109 Uiso 1 1 calc R U . . .
H1C H 0.281058 0.439506 0.919615 0.109 Uiso 1 1 calc R U . . .
C5B C 0.7465(6) 0.67743(12) 0.6395(2) 0.0776(12) Uani 1 1 d . U . . .
H5BA H 0.681600 0.687793 0.614858 0.093 Uiso 1 1 calc R U . . .
H5BB H 0.841170 0.673769 0.625434 0.093 Uiso 1 1 calc R U . . .
C6A C 0.2902(7) 0.76309(11) 0.1106(2) 0.0881(17) Uani 1 1 d . . . . .
H6AA H 0.214093 0.763382 0.134150 0.106 Uiso 1 1 calc R U . . .
H6AB H 0.247288 0.753138 0.081147 0.106 Uiso 1 1 calc R U . . .
C9C C -0.2494(6) 0.32150(11) 0.2342(2) 0.0817(15) Uani 1 1 d . . . . .
H9CA H -0.308373 0.332631 0.209058 0.098 Uiso 1 1 calc R U . . .
H9CB H -0.159575 0.314803 0.219842 0.098 Uiso 1 1 calc R U . . .
C4 C 0.4361(6) 0.49814(12) 0.9278(2) 0.0807(15) Uani 1 1 d . . . . .
H4A H 0.433736 0.478244 0.938665 0.121 Uiso 1 1 calc R U . . .
H4B H 0.506892 0.508899 0.949486 0.121 Uiso 1 1 calc R U . . .
H4C H 0.466173 0.498839 0.894705 0.121 Uiso 1 1 calc R U . . .
C4B C 0.6769(6) 0.64957(11) 0.6490(2) 0.0750(12) Uani 1 1 d . U . . .
H4BA H 0.576589 0.653151 0.658973 0.090 Uiso 1 1 calc R U . . .
H4BB H 0.734837 0.640259 0.676551 0.090 Uiso 1 1 calc R U . . .
C8 C -0.0004(7) 0.55205(12) 0.8844(2) 0.0868(17) Uani 1 1 d . . . . .
H8A H 0.066677 0.556918 0.912854 0.130 Uiso 1 1 calc R U . . .
H8B H -0.093029 0.562636 0.885538 0.130 Uiso 1 1 calc R U . . .
H8C H 0.045573 0.557137 0.854851 0.130 Uiso 1 1 calc R U . . .
C6 C 0.2843(6) 0.51114(12) 0.92887(17) 0.0733(14) Uani 1 1 d . . . . .
H6 H 0.296308 0.531692 0.920307 0.088 Uiso 1 1 calc R U . . .
C13 C 0.2961(7) 0.60943(13) -0.05924(18) 0.0826(16) Uani 1 1 d . . . . .
H13 H 0.289970 0.588362 -0.054013 0.099 Uiso 1 1 calc R U . . .
C7A C 0.3248(7) 0.79385(11) 0.0972(2) 0.0870(16) Uani 1 1 d . . . . .
H7AA H 0.363989 0.804022 0.126889 0.104 Uiso 1 1 calc R U . . .
H7AB H 0.403715 0.793596 0.074644 0.104 Uiso 1 1 calc R U . . .
C5A C 0.4191(6) 0.74633(11) 0.1319(2) 0.0804(15) Uani 1 1 d . . . . .
H5AA H 0.468582 0.757246 0.159322 0.096 Uiso 1 1 calc R U . . .
H5AB H 0.490506 0.744171 0.107114 0.096 Uiso 1 1 calc R U . . .
C6B C 0.7762(7) 0.69643(11) 0.6829(2) 0.0805(13) Uani 1 1 d . U . . .
H6BA H 0.681005 0.700254 0.696555 0.097 Uiso 1 1 calc R U . . .
H6BB H 0.839047 0.685791 0.707763 0.097 Uiso 1 1 calc R U . . .
C21C C -0.0449(6) 0.40862(15) 0.72926(18) 0.0871(15) Uani 1 1 d . U . . .
H21A H -0.144729 0.401717 0.717734 0.105 Uiso 1 1 calc R U . . .
H21B H -0.053846 0.428790 0.739200 0.105 Uiso 1 1 calc R U . . .
C17 C 0.5006(8) 0.66105(13) -0.0192(2) 0.0930(18) Uani 1 1 d . . . . .
H17 H 0.590346 0.663695 0.003926 0.112 Uiso 1 1 calc R U . . .
C10 C 0.6289(7) 0.60220(14) -0.0432(2) 0.0929(19) Uani 1 1 d . . . . .
H10 H 0.638074 0.608689 -0.077188 0.111 Uiso 1 1 calc R U . . .
C7B C 0.8491(7) 0.72454(13) 0.6748(2) 0.0895(15) Uani 1 1 d . U . . .
H7BA H 0.781461 0.735992 0.652552 0.107 Uiso 1 1 calc R U . . .
H7BB H 0.939110 0.720851 0.658078 0.107 Uiso 1 1 calc R U . . .
C8B C 0.8923(8) 0.74239(13) 0.7193(2) 0.0972(16) Uani 1 1 d . U . . .
H8BA H 0.802492 0.745855 0.736214 0.117 Uiso 1 1 calc R U . . .
H8BB H 0.960876 0.731008 0.741333 0.117 Uiso 1 1 calc R U . . .
C19B C 0.9028(8) 0.67642(11) 0.8632(2) 0.1034(17) Uani 1 1 d D U . . .
H19C H 0.996275 0.665927 0.860567 0.124 Uiso 0.712(9) 1 calc R U P A 1
H19D H 0.869686 0.672129 0.895525 0.124 Uiso 0.712(9) 1 calc R U P A 1
H19E H 1.003388 0.674662 0.852369 0.124 Uiso 0.288(9) 1 calc R U P A 2
H19F H 0.899415 0.666322 0.894463 0.124 Uiso 0.288(9) 1 calc R U P A 2
C2 C -0.0067(6) 0.45135(13) 0.93080(18) 0.0842(16) Uani 1 1 d . . . . .
H2A H 0.052233 0.454989 0.961530 0.126 Uiso 1 1 calc R U . . .
H2B H -0.036919 0.431279 0.929316 0.126 Uiso 1 1 calc R U . . .
H2C H -0.094526 0.463559 0.928605 0.126 Uiso 1 1 calc R U . . .
C8A C 0.1961(7) 0.81035(12) 0.0740(3) 0.0985(19) Uani 1 1 d . . . . .
H8AA H 0.115108 0.809722 0.095682 0.118 Uiso 1 1 calc R U . . .
H8AB H 0.160496 0.800813 0.043278 0.118 Uiso 1 1 calc R U . . .
C10C C -0.3384(7) 0.29568(12) 0.2467(2) 0.0901(17) Uani 1 1 d . . . . .
H10A H -0.427924 0.302189 0.261470 0.108 Uiso 1 1 calc R U . . .
H10B H -0.279049 0.284140 0.271218 0.108 Uiso 1 1 calc R U . . .
C11C C -0.3846(8) 0.27698(13) 0.2034(2) 0.102(2) Uani 1 1 d . . . . .
H11A H -0.444033 0.288586 0.178996 0.122 Uiso 1 1 calc R U . . .
H11B H -0.294784 0.270688 0.188519 0.122 Uiso 1 1 calc R U . . .
C14 C 0.3045(9) 0.61346(17) -0.1146(2) 0.114(2) Uani 1 1 d . . . . .
H14G H 0.213119 0.606498 -0.131992 0.172 Uiso 1 1 calc R U . . .
H14H H 0.388601 0.602679 -0.124947 0.172 Uiso 1 1 calc R U . . .
H14I H 0.317163 0.633757 -0.121672 0.172 Uiso 1 1 calc R U . . .
C15A C 0.5312(8) 0.67827(12) 0.3623(2) 0.1009(16) Uani 1 1 d D U . . .
H15E H 0.449387 0.691345 0.368540 0.121 Uiso 1 1 calc R U . . .
H15F H 0.605582 0.689497 0.346419 0.121 Uiso 1 1 calc R U . . .
C5 C 0.2328(7) 0.51126(17) 0.98050(19) 0.103(2) Uani 1 1 d . . . . .
H5A H 0.138547 0.521425 0.980353 0.155 Uiso 1 1 calc R U . . .
H5B H 0.306951 0.520849 1.002629 0.155 Uiso 1 1 calc R U . . .
H5C H 0.220130 0.491565 0.991325 0.155 Uiso 1 1 calc R U . . .
C11 C 0.6093(8) 0.56973(14) -0.0449(3) 0.110(2) Uani 1 1 d . . . . .
H11C H 0.699450 0.560850 -0.054907 0.164 Uiso 1 1 calc R U . . .
H11D H 0.525892 0.564867 -0.068314 0.164 Uiso 1 1 calc R U . . .
H11E H 0.590024 0.562720 -0.012736 0.164 Uiso 1 1 calc R U . . .
C18 C 0.3787(9) 0.67949(14) 0.0007(3) 0.112(2) Uani 1 1 d . . . . .
H18E H 0.418406 0.698442 0.009284 0.167 Uiso 1 1 calc R U . . .
H18F H 0.344752 0.670360 0.029590 0.167 Uiso 1 1 calc R U . . .
H18G H 0.295674 0.681372 -0.024127 0.167 Uiso 1 1 calc R U . . .
C11A C 0.0827(8) 0.84742(14) -0.0185(3) 0.103(2) Uani 1 1 d . . . . .
H11F H 0.064469 0.826591 -0.018238 0.123 Uiso 1 1 calc R U . . .
H11G H -0.009685 0.856661 -0.032109 0.123 Uiso 1 1 calc R U . . .
C16A C 0.6025(7) 0.66740(12) 0.4114(2) 0.1064(16) Uani 1 1 d D U . . .
H16E H 0.683335 0.653809 0.406656 0.128 Uiso 1 1 calc R U . . .
H16F H 0.528444 0.657839 0.430046 0.128 Uiso 1 1 calc R U . . .
C9A C 0.2295(7) 0.84137(12) 0.0632(3) 0.0960(19) Uani 1 1 d . . . . .
H9AA H 0.251603 0.851394 0.094498 0.115 Uiso 1 1 calc R U . . .
H9AB H 0.320167 0.841960 0.045840 0.115 Uiso 1 1 calc R U . . .
C22C C 0.0163(7) 0.39021(19) 0.7751(2) 0.1097(19) Uani 1 1 d . U . . .
H22A H 0.047121 0.371200 0.764124 0.132 Uiso 1 1 calc R U . . .
H22B H 0.104170 0.399766 0.791428 0.132 Uiso 1 1 calc R U . . .
C16 C 0.5395(10) 0.67411(16) -0.0680(3) 0.134(3) Uani 1 1 d . . . . .
H16G H 0.453697 0.672695 -0.091898 0.201 Uiso 1 1 calc R U . . .
H16H H 0.622634 0.663661 -0.079778 0.201 Uiso 1 1 calc R U . . .
H16I H 0.566582 0.694207 -0.063145 0.201 Uiso 1 1 calc R U . . .
C15 C 0.1507(8) 0.62164(18) -0.0446(3) 0.113(2) Uani 1 1 d . . . . .
H15G H 0.148627 0.642293 -0.050212 0.170 Uiso 1 1 calc R U . . .
H15H H 0.142086 0.617803 -0.010159 0.170 Uiso 1 1 calc R U . . .
H15I H 0.068096 0.612668 -0.064045 0.170 Uiso 1 1 calc R U . . .
C20A C 0.7305(8) 0.73821(14) 0.5173(3) 0.134(2) Uani 1 1 d D U . . .
H20C H 0.639660 0.736971 0.534491 0.161 Uiso 0.775(14) 1 calc R U P B 1
H20D H 0.703815 0.745484 0.484094 0.161 Uiso 0.775(14) 1 calc R U P B 1
H20E H 0.687660 0.739621 0.548882 0.161 Uiso 0.225(14) 1 calc R U P B 2
H20F H 0.646856 0.738486 0.491866 0.161 Uiso 0.225(14) 1 calc R U P B 2
C12 C 0.7718(8) 0.61044(18) -0.0137(3) 0.126(3) Uani 1 1 d . . . . .
H12A H 0.768837 0.603744 0.019793 0.189 Uiso 1 1 calc R U . . .
H12B H 0.782915 0.631240 -0.013787 0.189 Uiso 1 1 calc R U . . .
H12C H 0.855617 0.601631 -0.027973 0.189 Uiso 1 1 calc R U . . .
C10A C 0.1138(9) 0.85740(13) 0.0346(3) 0.105(2) Uani 1 1 d . . . . .
H10C H 0.142436 0.877780 0.034528 0.126 Uiso 1 1 calc R U . . .
H10D H 0.021176 0.855950 0.050796 0.126 Uiso 1 1 calc R U . . .
C9B C 0.9622(9) 0.77009(15) 0.7115(3) 0.1177(19) Uani 1 1 d . U . . .
H9BA H 0.885838 0.782384 0.694409 0.141 Uiso 1 1 calc R U . . .
H9BB H 1.038386 0.766767 0.688627 0.141 Uiso 1 1 calc R U . . .
C12A C 0.1989(10) 0.85314(17) -0.0517(3) 0.128(3) Uani 1 1 d . . . . .
H12D H 0.164649 0.846823 -0.084485 0.192 Uiso 1 1 calc R U . . .
H12E H 0.288943 0.842734 -0.040438 0.192 Uiso 1 1 calc R U . . .
H12F H 0.219903 0.873651 -0.052041 0.192 Uiso 1 1 calc R U . . .
C12C C -0.4723(10) 0.25107(15) 0.2148(3) 0.136(3) Uani 1 1 d . . . . .
H12G H -0.471840 0.237365 0.188063 0.204 Uiso 1 1 calc R U . . .
H12H H -0.574248 0.256685 0.219062 0.204 Uiso 1 1 calc R U . . .
H12I H -0.428239 0.242240 0.244722 0.204 Uiso 1 1 calc R U . . .
C20B C 0.9371(11) 0.70855(12) 0.8614(3) 0.104(2) Uani 0.712(9) 1 d D U P A 1
H20G H 0.849118 0.719681 0.868676 0.125 Uiso 0.712(9) 1 calc R U P A 1
H20H H 0.962666 0.713853 0.828514 0.125 Uiso 0.712(9) 1 calc R U P A 1
C21B C 1.0673(10) 0.71541(15) 0.8989(3) 0.112(2) Uani 0.712(9) 1 d D U P A 1
H21C H 1.047627 0.708583 0.931592 0.135 Uiso 0.712(9) 1 calc R U P A 1
H21D H 1.159853 0.706637 0.889682 0.135 Uiso 0.712(9) 1 calc R U P A 1
C21A C 0.8440(10) 0.75809(17) 0.5447(4) 0.136(3) Uani 0.775(14) 1 d D U P B 1
H21E H 0.869050 0.750643 0.577889 0.163 Uiso 0.775(14) 1 calc R U P B 1
H21F H 0.935525 0.758555 0.527808 0.163 Uiso 0.775(14) 1 calc R U P B 1
C23C C -0.1001(9) 0.3865(2) 0.8113(3) 0.132(2) Uani 1 1 d . U . . .
H23A H -0.190627 0.378253 0.794346 0.158 Uiso 1 1 calc R U . . .
H23B H -0.125815 0.405462 0.823954 0.158 Uiso 1 1 calc R U . . .
C12B C 1.0226(12) 0.81799(19) 0.8258(4) 0.162(4) Uani 1 1 d . U . . .
H12J H 1.035262 0.836746 0.811014 0.243 Uiso 1 1 calc R U . . .
H12K H 1.119668 0.809588 0.835007 0.243 Uiso 1 1 calc R U . . .
H12L H 0.968342 0.820130 0.854628 0.243 Uiso 1 1 calc R U . . .
C22B C 1.0763(10) 0.74819(15) 0.8975(3) 0.148(2) Uani 1 1 d D U . . .
H22C H 0.975888 0.756502 0.893248 0.177 Uiso 0.712(9) 1 calc R U P A 1
H22D H 1.131649 0.754418 0.870119 0.177 Uiso 0.712(9) 1 calc R U P A 1
H22E H 1.146304 0.736966 0.879687 0.177 Uiso 0.288(9) 1 calc R U P A 2
H22F H 1.047518 0.765211 0.877725 0.177 Uiso 0.288(9) 1 calc R U P A 2
C10B C 1.0356(9) 0.78775(19) 0.7538(3) 0.140(2) Uani 1 1 d D U . . .
H10E H 1.112629 0.776059 0.771892 0.167 Uiso 1 1 calc R U . . .
H10F H 1.084310 0.804607 0.740723 0.167 Uiso 1 1 calc R U . . .
C19A C 0.8043(9) 0.70873(14) 0.5153(3) 0.137(2) Uani 1 1 d D U . . .
H19G H 0.836839 0.702511 0.548734 0.164 Uiso 0.792(10) 1 calc R U P C 1
H19H H 0.893115 0.710332 0.497160 0.164 Uiso 0.792(10) 1 calc R U P C 1
H19I H 0.750922 0.692446 0.528438 0.164 Uiso 0.208(10) 1 calc R U P C 2
H19J H 0.912544 0.708037 0.523333 0.164 Uiso 0.208(10) 1 calc R U P C 2
C17A C 0.6625(10) 0.69450(13) 0.4377(2) 0.130(2) Uani 1 1 d D U . . .
H17E H 0.751717 0.701455 0.423212 0.156 Uiso 0.792(10) 1 calc R U P C 1
H17F H 0.587143 0.709804 0.435197 0.156 Uiso 0.792(10) 1 calc R U P C 1
H17G H 0.590262 0.693466 0.462390 0.156 Uiso 0.208(10) 1 calc R U P C 2
H17H H 0.613749 0.707392 0.412852 0.156 Uiso 0.208(10) 1 calc R U P C 2
C22A C 0.7811(10) 0.78848(17) 0.5476(3) 0.162(3) Uani 1 1 d D U . . .
H22G H 0.688118 0.787287 0.563626 0.194 Uiso 0.775(14) 1 calc R U P B 1
H22H H 0.755146 0.795217 0.514036 0.194 Uiso 0.775(14) 1 calc R U P B 1
H22I H 0.698532 0.799234 0.530496 0.194 Uiso 0.225(14) 1 calc R U P B 2
H22J H 0.737575 0.777772 0.573695 0.194 Uiso 0.225(14) 1 calc R U P B 2
C18A C 0.7004(10) 0.68598(18) 0.4910(2) 0.123(2) Uani 0.792(10) 1 d D U P C 1
H18H H 0.749193 0.667077 0.492768 0.148 Uiso 0.792(10) 1 calc R U P C 1
H18I H 0.608997 0.684740 0.507912 0.148 Uiso 0.792(10) 1 calc R U P C 1
C11B C 0.9303(10) 0.7972(2) 0.7869(3) 0.151(3) Uani 1 1 d D U . . .
H11H H 0.889157 0.780732 0.803553 0.181 Uiso 1 1 calc R U . . .
H11I H 0.848090 0.807779 0.769165 0.181 Uiso 1 1 calc R U . . .
C23B C 1.1561(10) 0.7581(2) 0.9459(3) 0.174(3) Uani 1 1 d D U . . .
H23C H 1.125935 0.777555 0.955128 0.209 Uiso 0.814(13) 1 calc R U P D 1
H23D H 1.143224 0.744632 0.972756 0.209 Uiso 0.814(13) 1 calc R U P D 1
H23E H 1.153272 0.779035 0.940709 0.209 Uiso 0.186(13) 1 calc R U P D 2
H23F H 1.077236 0.754601 0.967721 0.209 Uiso 0.186(13) 1 calc R U P D 2
C24C C -0.0469(10) 0.3671(2) 0.8541(3) 0.144(3) Uani 1 1 d . U . . .
H24A H -0.063240 0.347066 0.844825 0.216 Uiso 1 1 calc R U . . .
H24B H -0.102275 0.371493 0.882047 0.216 Uiso 1 1 calc R U . . .
H24C H 0.058591 0.370272 0.862793 0.216 Uiso 1 1 calc R U . . .
C24B C 1.3135(11) 0.7574(2) 0.9295(5) 0.161(4) Uani 0.814(13) 1 d D U P D 1
H24D H 1.344099 0.737565 0.925583 0.241 Uiso 0.814(13) 1 calc R U P D 1
H24E H 1.381543 0.766783 0.953962 0.241 Uiso 0.814(13) 1 calc R U P D 1
H24F H 1.315127 0.767473 0.898506 0.241 Uiso 0.814(13) 1 calc R U P D 1
C23A C 0.8791(10) 0.8114(2) 0.5741(3) 0.166(3) Uani 1 1 d D U . . .
H23G H 0.823415 0.829369 0.577157 0.199 Uiso 0.781(12) 1 calc R U P E 1
H23H H 0.915842 0.804781 0.606957 0.199 Uiso 0.781(12) 1 calc R U P E 1
H23I H 0.800233 0.819397 0.592632 0.199 Uiso 0.219(12) 1 calc R U P E 2
H23J H 0.931345 0.798059 0.597477 0.199 Uiso 0.219(12) 1 calc R U P E 2
C24A C 1.0078(12) 0.8158(3) 0.5422(4) 0.160(4) Uani 0.781(12) 1 d D U P E 1
H24G H 1.058825 0.797556 0.538612 0.240 Uiso 0.781(12) 1 calc R U P E 1
H24H H 1.077169 0.829734 0.557549 0.240 Uiso 0.781(12) 1 calc R U P E 1
H24I H 0.969317 0.822741 0.510236 0.240 Uiso 0.781(12) 1 calc R U P E 1
C49 C 0.821(3) 0.7655(3) 0.5112(9) 0.142(3) Uani 0.225(14) 1 d D U P B 2
H49A H 0.801423 0.772849 0.477704 0.170 Uiso 0.225(14) 1 calc R U P B 2
H49B H 0.927941 0.761031 0.516520 0.170 Uiso 0.225(14) 1 calc R U P B 2
C18' C 0.750(3) 0.7189(3) 0.4639(5) 0.130(3) Uani 0.208(10) 1 d D U P C 2
H18J H 0.686243 0.735917 0.465876 0.156 Uiso 0.208(10) 1 calc R U P C 2
H18K H 0.835380 0.724179 0.445863 0.156 Uiso 0.208(10) 1 calc R U P C 2
C24' C 0.987(3) 0.8364(5) 0.5844(14) 0.156(7) Uani 0.219(12) 1 d D U P E 2
H24J H 1.046909 0.838840 0.556835 0.235 Uiso 0.219(12) 1 calc R U P E 2
H24K H 1.052345 0.832271 0.613700 0.235 Uiso 0.219(12) 1 calc R U P E 2
H24L H 0.931728 0.853910 0.589214 0.235 Uiso 0.219(12) 1 calc R U P E 2
C20' C 0.860(2) 0.70801(18) 0.8680(7) 0.109(3) Uani 0.288(9) 1 d D U P A 2
H20I H 0.754915 0.707947 0.875369 0.131 Uiso 0.288(9) 1 calc R U P A 2
H20J H 0.860896 0.716268 0.835135 0.131 Uiso 0.288(9) 1 calc R U P A 2
C21' C 0.9376(18) 0.7300(4) 0.9028(7) 0.119(3) Uani 0.288(9) 1 d D U P A 2
H21G H 0.859762 0.743943 0.909052 0.143 Uiso 0.288(9) 1 calc R U P A 2
H21H H 0.959355 0.719469 0.933642 0.143 Uiso 0.288(9) 1 calc R U P A 2
C50 C 1.292(3) 0.7561(10) 0.9830(12) 0.158(8) Uani 0.186(13) 1 d D U P D 2
H50A H 1.314498 0.736014 0.990116 0.237 Uiso 0.186(13) 1 calc R U P D 2
H50B H 1.271910 0.765982 1.012875 0.237 Uiso 0.186(13) 1 calc R U P D 2
H50C H 1.377096 0.765065 0.969439 0.237 Uiso 0.186(13) 1 calc R U P D 2


_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
S4 C31 1.746(4) . ?
S4 C34 1.749(4) . ?
S2 C37 1.746(4) . ?
S2 C40 1.738(4) . ?
S3 C36 1.726(4) . ?
S3 C33 1.747(4) . ?
S5 C30 1.742(4) . ?
S5 C27 1.741(4) . ?
S6 C28 1.739(4) . ?
S6 C25 1.746(4) . ?
S1 C39 1.720(4) . ?
S1 C42 1.749(5) . ?
S7 C24 1.744(5) . ?
S7 C21 1.748(4) . ?
S8 C22 1.732(4) . ?
S8 C19 1.726(5) . ?
Si1 C42 1.882(4) . ?
Si1 C9 1.898(5) . ?
Si1 C3 1.898(5) . ?
Si1 C6 1.879(5) . ?
Si2 C19 1.885(5) . ?
Si2 C13 1.865(6) . ?
Si2 C17 1.882(6) . ?
Si2 C10 1.897(6) . ?
C48 C32 1.426(5) . ?
C48 C47 1.390(5) . ?
C48 C13C 1.517(5) . ?
C46 C45 1.396(5) . ?
C46 C38 1.411(6) . ?
C46 C13B 1.523(5) . ?
C32 C31 1.399(5) . ?
C32 C33 1.443(5) . ?
C45 C35 1.434(5) . ?
C45 C1B 1.517(5) . ?
C47 C29 1.414(5) . ?
C47 C1C 1.523(5) . ?
C13C H13A 0.9900 . ?
C13C H13B 0.9900 . ?
C13C C14C 1.530(5) . ?
C28 C29 1.450(5) . ?
C28 C27 1.383(6) . ?
C37 C36 1.400(5) . ?
C37 C38 1.413(5) . ?
C31 C30 1.401(5) . ?
C36 C35 1.409(5) . ?
C38 C39 1.467(5) . ?
C35 C34 1.444(5) . ?
C29 C30 1.416(5) . ?
C1C H1CA 0.9900 . ?
C1C H1CB 0.9900 . ?
C1C C2C 1.543(5) . ?
C13B H13C 0.9900 . ?
C13B H13D 0.9900 . ?
C13B C14B 1.536(5) . ?
C33 C34 1.380(5) . ?
C4C H4CA 0.9900 . ?
C4C H4CB 0.9900 . ?
C4C C5C 1.531(6) . ?
C4C C3C 1.521(6) . ?
C2C H2CA 0.9900 . ?
C2C H2CB 0.9900 . ?
C2C C3C 1.525(5) . ?
C1B H1BA 0.9900 . ?
C1B H1BB 0.9900 . ?
C1B C2B 1.534(5) . ?
C14C H14A 0.9900 . ?
C14C H14B 0.9900 . ?
C14C C15C 1.534(6) . ?
C41 H41 0.9500 . ?
C41 C40 1.421(5) . ?
C41 C42 1.369(6) . ?
C23 C43 1.412(6) . ?
C23 C24 1.417(6) . ?
C23 C22 1.454(6) . ?
C39 C40 1.381(6) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
C14B C15B 1.519(6) . ?
C6C H6CA 0.9900 . ?
C6C H6CB 0.9900 . ?
C6C C5C 1.517(6) . ?
C6C C7C 1.525(6) . ?
C27 C26 1.461(5) . ?
C5C H5CA 0.9900 . ?
C5C H5CB 0.9900 . ?
C3C H3CA 0.9900 . ?
C3C H3CB 0.9900 . ?
C25 C24 1.386(6) . ?
C25 C26 1.415(6) . ?
C43 C44 1.401(6) . ?
C43 C1A 1.529(6) . ?
C2B H2BA 0.9900 . ?
C2B H2BB 0.9900 . ?
C2B C3B 1.516(6) . ?
C17C H17A 0.9900 . ?
C17C H17B 0.9900 . ?
C17C C18C 1.509(6) . ?
C17C C16C 1.531(5) . ?
C26 C44 1.407(6) . ?
C18C H18A 0.9900 . ?
C18C H18B 0.9900 . ?
C18C C19C 1.526(5) . ?
C19C H19A 0.9900 . ?
C19C H19B 0.9900 . ?
C19C C20C 1.513(6) . ?
C15C H15A 0.9900 . ?
C15C H15B 0.9900 . ?
C15C C16C 1.540(6) . ?
C20C H20A 0.9900 . ?
C20C H20B 0.9900 . ?
C20C C21C 1.527(6) . ?
C7C H7CA 0.9900 . ?
C7C H7CB 0.9900 . ?
C7C C8C 1.514(6) . ?
C22 C21 1.373(7) . ?
C16C H16A 0.9900 . ?
C16C H16B 0.9900 . ?
C44 C13A 1.517(6) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C1A C2A 1.526(6) . ?
C15B H15C 0.9900 . ?
C15B H15D 0.9900 . ?
C15B C16B 1.507(6) . ?
C13A H13E 0.9900 . ?
C13A H13F 0.9900 . ?
C13A C14A 1.532(6) . ?
C17B H17C 0.9900 . ?
C17B H17D 0.9900 . ?
C17B C16B 1.531(6) . ?
C17B C18B 1.507(7) . ?
C19 C20 1.388(7) . ?
C21 C20 1.410(6) . ?
C9 H9 1.0000 . ?
C9 C7 1.538(7) . ?
C9 C8 1.530(8) . ?
C2A H2AA 0.9900 . ?
C2A H2AB 0.9900 . ?
C2A C3A 1.532(6) . ?
C3B H3BA 0.9900 . ?
C3B H3BB 0.9900 . ?
C3B C4B 1.556(7) . ?
C16B H16C 0.9900 . ?
C16B H16D 0.9900 . ?
C14A H14E 0.9900 . ?
C14A H14F 0.9900 . ?
C14A C15A 1.520(8) . ?
C20 H20 0.9500 . ?
C3 H3 1.0000 . ?
C3 C1 1.549(7) . ?
C3 C2 1.534(6) . ?
C8C H8CA 0.9900 . ?
C8C H8CB 0.9900 . ?
C8C C9C 1.519(7) . ?
C3A H3AA 0.9900 . ?
C3A H3AB 0.9900 . ?
C3A C4A 1.504(7) . ?
C18B H18C 0.9900 . ?
C18B H18D 0.9900 . ?
C18B C19B 1.531(8) . ?
C4A H4AA 0.9900 . ?
C4A H4AB 0.9900 . ?
C4A C5A 1.533(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C5B H5BA 0.9900 . ?
C5B H5BB 0.9900 . ?
C5B C4B 1.484(7) . ?
C5B C6B 1.501(8) . ?
C6A H6AA 0.9900 . ?
C6A H6AB 0.9900 . ?
C6A C7A 1.529(7) . ?
C6A C5A 1.490(8) . ?
C9C H9CA 0.9900 . ?
C9C H9CB 0.9900 . ?
C9C C10C 1.512(7) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 C6 1.512(7) . ?
C4B H4BA 0.9900 . ?
C4B H4BB 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C6 H6 1.0000 . ?
C6 C5 1.542(7) . ?
C13 H13 1.0000 . ?
C13 C14 1.551(7) . ?
C13 C15 1.527(8) . ?
C7A H7AA 0.9900 . ?
C7A H7AB 0.9900 . ?
C7A C8A 1.499(8) . ?
C5A H5AA 0.9900 . ?
C5A H5AB 0.9900 . ?
C6B H6BA 0.9900 . ?
C6B H6BB 0.9900 . ?
C6B C7B 1.500(7) . ?
C21C H21A 0.9900 . ?
C21C H21B 0.9900 . ?
C21C C22C 1.595(8) . ?
C17 H17 1.0000 . ?
C17 C18 1.544(9) . ?
C17 C16 1.552(7) . ?
C10 H10 1.0000 . ?
C10 C11 1.532(9) . ?
C10 C12 1.524(10) . ?
C7B H7BA 0.9900 . ?
C7B H7BB 0.9900 . ?
C7B C8B 1.511(8) . ?
C8B H8BA 0.9900 . ?
C8B H8BB 0.9900 . ?
C8B C9B 1.469(9) . ?
C19B H19C 0.9900 . ?
C19B H19D 0.9900 . ?
C19B H19E 0.9900 . ?
C19B H19F 0.9900 . ?
C19B C20B 1.5392(11) . ?
C19B C20' 1.5403(11) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C8A H8AA 0.9900 . ?
C8A H8AB 0.9900 . ?
C8A C9A 1.520(8) . ?
C10C H10A 0.9900 . ?
C10C H10B 0.9900 . ?
C10C C11C 1.516(8) . ?
C11C H11A 0.9900 . ?
C11C H11B 0.9900 . ?
C11C C12C 1.502(9) . ?
C14 H14G 0.9800 . ?
C14 H14H 0.9800 . ?
C14 H14I 0.9800 . ?
C15A H15E 0.9900 . ?
C15A H15F 0.9900 . ?
C15A C16A 1.5398(10) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C11 H11C 0.9800 . ?
C11 H11D 0.9800 . ?
C11 H11E 0.9800 . ?
C18 H18E 0.9800 . ?
C18 H18F 0.9800 . ?
C18 H18G 0.9800 . ?
C11A H11F 0.9900 . ?
C11A H11G 0.9900 . ?
C11A C10A 1.543(9) . ?
C11A C12A 1.484(9) . ?
C16A H16E 0.9900 . ?
C16A H16F 0.9900 . ?
C16A C17A 1.5397(10) . ?
C9A H9AA 0.9900 . ?
C9A H9AB 0.9900 . ?
C9A C10A 1.468(9) . ?
C22C H22A 0.9900 . ?
C22C H22B 0.9900 . ?
C22C C23C 1.529(8) . ?
C16 H16G 0.9800 . ?
C16 H16H 0.9800 . ?
C16 H16I 0.9800 . ?
C15 H15G 0.9800 . ?
C15 H15H 0.9800 . ?
C15 H15I 0.9800 . ?
C20A H20C 0.9900 . ?
C20A H20D 0.9900 . ?
C20A H20E 0.9900 . ?
C20A H20F 0.9900 . ?
C20A C21A 1.5405(11) . ?
C20A C19A 1.5391(10) . ?
C20A C49 1.5400(11) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C10A H10C 0.9900 . ?
C10A H10D 0.9900 . ?
C9B H9BA 0.9900 . ?
C9B H9BB 0.9900 . ?
C9B C10B 1.539(10) . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C12C H12G 0.9800 . ?
C12C H12H 0.9800 . ?
C12C H12I 0.9800 . ?
C20B H20G 0.9900 . ?
C20B H20H 0.9900 . ?
C20B C21B 1.5400(11) . ?
C21B H21C 0.9900 . ?
C21B H21D 0.9900 . ?
C21B C22B 1.5388(11) . ?
C21A H21E 0.9900 . ?
C21A H21F 0.9900 . ?
C21A C22A 1.5391(10) . ?
C23C H23A 0.9900 . ?
C23C H23B 0.9900 . ?
C23C C24C 1.539(10) . ?
C12B H12J 0.9800 . ?
C12B H12K 0.9800 . ?
C12B H12L 0.9800 . ?
C12B C11B 1.629(12) . ?
C22B H22C 0.9900 . ?
C22B H22D 0.9900 . ?
C22B H22E 0.9900 . ?
C22B H22F 0.9900 . ?
C22B C23B 1.5399(8) . ?
C22B C21' 1.5401(11) . ?
C10B H10E 0.9900 . ?
C10B H10F 0.9900 . ?
C10B C11B 1.4493(11) . ?
C19A H19G 0.9900 . ?
C19A H19H 0.9900 . ?
C19A H19I 0.9900 . ?
C19A H19J 0.9900 . ?
C19A C18A 1.5404(11) . ?
C19A C18' 1.5400(11) . ?
C17A H17E 0.9900 . ?
C17A H17F 0.9900 . ?
C17A H17G 0.9900 . ?
C17A H17H 0.9900 . ?
C17A C18A 1.5391(11) . ?
C17A C18' 1.5397(11) . ?
C22A H22G 0.9900 . ?
C22A H22H 0.9900 . ?
C22A H22I 0.9900 . ?
C22A H22J 0.9900 . ?
C22A C23A 1.5403(11) . ?
C22A C49 1.5403(10) . ?
C18A H18H 0.9900 . ?
C18A H18I 0.9900 . ?
C11B H11H 0.9900 . ?
C11B H11I 0.9900 . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
C23B H23E 0.9900 . ?
C23B H23F 0.9900 . ?
C23B C24B 1.5389(11) . ?
C23B C50 1.5397(11) . ?
C24C H24A 0.9800 . ?
C24C H24B 0.9800 . ?
C24C H24C 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C23A H23G 0.9900 . ?
C23A H23H 0.9900 . ?
C23A H23I 0.9900 . ?
C23A H23J 0.9900 . ?
C23A C24A 1.5395(11) . ?
C23A C24' 1.5401(12) . ?
C24A H24G 0.9800 . ?
C24A H24H 0.9800 . ?
C24A H24I 0.9800 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C18' H18J 0.9900 . ?
C18' H18K 0.9900 . ?
C24' H24J 0.9800 . ?
C24' H24K 0.9800 . ?
C24' H24L 0.9800 . ?
C20' H20I 0.9900 . ?
C20' H20J 0.9900 . ?
C20' C21' 1.5402(11) . ?
C21' H21G 0.9900 . ?
C21' H21H 0.9900 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 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
C31 S4 C34 90.68(18) . . ?
C40 S2 C37 89.83(18) . . ?
C36 S3 C33 90.47(18) . . ?
C27 S5 C30 90.56(18) . . ?
C28 S6 C25 91.00(19) . . ?
C39 S1 C42 92.7(2) . . ?
C24 S7 C21 90.7(2) . . ?
C19 S8 C22 93.2(2) . . ?
C42 Si1 C9 109.4(2) . . ?
C42 Si1 C3 105.4(2) . . ?
C9 Si1 C3 109.4(2) . . ?
C6 Si1 C42 107.4(2) . . ?
C6 Si1 C9 108.2(2) . . ?
C6 Si1 C3 116.8(2) . . ?
C19 Si2 C10 106.9(3) . . ?
C13 Si2 C19 108.8(2) . . ?
C13 Si2 C17 116.7(3) . . ?
C13 Si2 C10 107.7(3) . . ?
C17 Si2 C19 106.7(3) . . ?
C17 Si2 C10 109.6(3) . . ?
C32 C48 C13C 119.0(3) . . ?
C47 C48 C32 119.1(3) . . ?
C47 C48 C13C 122.0(3) . . ?
C45 C46 C38 120.1(3) . . ?
C45 C46 C13B 122.6(4) . . ?
C38 C46 C13B 117.2(3) . . ?
C48 C32 C33 130.1(3) . . ?
C31 C32 C48 121.4(3) . . ?
C31 C32 C33 108.5(3) . . ?
C46 C45 C35 118.8(4) . . ?
C46 C45 C1B 122.8(3) . . ?
C35 C45 C1B 118.4(3) . . ?
C48 C47 C29 119.7(3) . . ?
C48 C47 C1C 121.3(3) . . ?
C29 C47 C1C 118.9(3) . . ?
C48 C13C H13A 108.4 . . ?
C48 C13C H13B 108.4 . . ?
C48 C13C C14C 115.5(3) . . ?
H13A C13C H13B 107.5 . . ?
C14C C13C H13A 108.4 . . ?
C14C C13C H13B 108.4 . . ?
C29 C28 S6 133.9(3) . . ?
C27 C28 S6 111.9(3) . . ?
C27 C28 C29 114.2(3) . . ?
C36 C37 S2 125.1(3) . . ?
C36 C37 C38 119.9(4) . . ?
C38 C37 S2 114.9(3) . . ?
C32 C31 S4 114.3(3) . . ?
C32 C31 C30 119.4(3) . . ?
C30 C31 S4 126.3(3) . . ?
C37 C36 S3 125.8(3) . . ?
C37 C36 C35 119.4(3) . . ?
C35 C36 S3 114.8(3) . . ?
C46 C38 C37 120.7(3) . . ?
C46 C38 C39 130.8(3) . . ?
C37 C38 C39 108.3(3) . . ?
C45 C35 C34 130.7(4) . . ?
C36 C35 C45 121.0(3) . . ?
C36 C35 C34 108.3(3) . . ?
C47 C29 C28 130.3(3) . . ?
C47 C29 C30 120.9(3) . . ?
C30 C29 C28 108.8(3) . . ?
C47 C1C H1CA 109.0 . . ?
C47 C1C H1CB 109.0 . . ?
C47 C1C C2C 113.0(3) . . ?
H1CA C1C H1CB 107.8 . . ?
C2C C1C H1CA 109.0 . . ?
C2C C1C H1CB 109.0 . . ?
C46 C13B H13C 109.6 . . ?
C46 C13B H13D 109.6 . . ?
C46 C13B C14B 110.2(3) . . ?
H13C C13B H13D 108.1 . . ?
C14B C13B H13C 109.6 . . ?
C14B C13B H13D 109.6 . . ?
C32 C33 S3 132.7(3) . . ?
C34 C33 S3 111.6(3) . . ?
C34 C33 C32 115.6(3) . . ?
H4CA C4C H4CB 107.9 . . ?
C5C C4C H4CA 109.2 . . ?
C5C C4C H4CB 109.2 . . ?
C3C C4C H4CA 109.2 . . ?
C3C C4C H4CB 109.2 . . ?
C3C C4C C5C 112.1(3) . . ?
C35 C34 S4 134.4(3) . . ?
C33 C34 S4 110.9(3) . . ?
C33 C34 C35 114.7(3) . . ?
C1C C2C H2CA 109.1 . . ?
C1C C2C H2CB 109.1 . . ?
H2CA C2C H2CB 107.8 . . ?
C3C C2C C1C 112.5(3) . . ?
C3C C2C H2CA 109.1 . . ?
C3C C2C H2CB 109.1 . . ?
C45 C1B H1BA 108.9 . . ?
C45 C1B H1BB 108.9 . . ?
C45 C1B C2B 113.4(3) . . ?
H1BA C1B H1BB 107.7 . . ?
C2B C1B H1BA 108.9 . . ?
C2B C1B H1BB 108.9 . . ?
C13C C14C H14A 109.1 . . ?
C13C C14C H14B 109.1 . . ?
C13C C14C C15C 112.5(3) . . ?
H14A C14C H14B 107.8 . . ?
C15C C14C H14A 109.1 . . ?
C15C C14C H14B 109.1 . . ?
C40 C41 H41 123.6 . . ?
C42 C41 H41 123.6 . . ?
C42 C41 C40 112.7(4) . . ?
C31 C30 S5 126.5(3) . . ?
C31 C30 C29 119.4(3) . . ?
C29 C30 S5 114.1(3) . . ?
C43 C23 C24 120.7(4) . . ?
C43 C23 C22 130.8(4) . . ?
C24 C23 C22 108.4(4) . . ?
C38 C39 S1 135.7(3) . . ?
C40 C39 S1 110.2(3) . . ?
C40 C39 C38 113.3(3) . . ?
C13B C14B H14C 108.5 . . ?
C13B C14B H14D 108.5 . . ?
H14C C14B H14D 107.5 . . ?
C15B C14B C13B 115.1(3) . . ?
C15B C14B H14C 108.5 . . ?
C15B C14B H14D 108.5 . . ?
H6CA C6C H6CB 107.9 . . ?
C5C C6C H6CA 109.2 . . ?
C5C C6C H6CB 109.2 . . ?
C5C C6C C7C 111.9(4) . . ?
C7C C6C H6CA 109.2 . . ?
C7C C6C H6CB 109.2 . . ?
C28 C27 S5 112.3(3) . . ?
C28 C27 C26 114.7(4) . . ?
C26 C27 S5 132.9(3) . . ?
C4C C5C H5CA 108.3 . . ?
C4C C5C H5CB 108.3 . . ?
C6C C5C C4C 115.8(3) . . ?
C6C C5C H5CA 108.3 . . ?
C6C C5C H5CB 108.3 . . ?
H5CA C5C H5CB 107.4 . . ?
C4C C3C C2C 114.4(3) . . ?
C4C C3C H3CA 108.7 . . ?
C4C C3C H3CB 108.7 . . ?
C2C C3C H3CA 108.7 . . ?
C2C C3C H3CB 108.7 . . ?
H3CA C3C H3CB 107.6 . . ?
C24 C25 S6 125.8(3) . . ?
C24 C25 C26 120.1(4) . . ?
C26 C25 S6 114.0(3) . . ?
C41 C40 S2 132.3(3) . . ?
C39 C40 S2 113.5(3) . . ?
C39 C40 C41 113.9(3) . . ?
C23 C43 C1A 117.8(4) . . ?
C44 C43 C23 119.5(4) . . ?
C44 C43 C1A 122.6(4) . . ?
C1B C2B H2BA 108.6 . . ?
C1B C2B H2BB 108.6 . . ?
H2BA C2B H2BB 107.6 . . ?
C3B C2B C1B 114.5(4) . . ?
C3B C2B H2BA 108.6 . . ?
C3B C2B H2BB 108.6 . . ?
C23 C24 S7 114.0(3) . . ?
C25 C24 S7 126.4(3) . . ?
C25 C24 C23 119.4(4) . . ?
H17A C17C H17B 107.8 . . ?
C18C C17C H17A 109.0 . . ?
C18C C17C H17B 109.0 . . ?
C18C C17C C16C 112.9(3) . . ?
C16C C17C H17A 109.0 . . ?
C16C C17C H17B 109.0 . . ?
C25 C26 C27 108.3(3) . . ?
C44 C26 C27 131.1(4) . . ?
C44 C26 C25 120.6(4) . . ?
C17C C18C H18A 108.7 . . ?
C17C C18C H18B 108.7 . . ?
C17C C18C C19C 114.4(4) . . ?
H18A C18C H18B 107.6 . . ?
C19C C18C H18A 108.7 . . ?
C19C C18C H18B 108.7 . . ?
C18C C19C H19A 108.9 . . ?
C18C C19C H19B 108.9 . . ?
H19A C19C H19B 107.7 . . ?
C20C C19C C18C 113.5(4) . . ?
C20C C19C H19A 108.9 . . ?
C20C C19C H19B 108.9 . . ?
C14C C15C H15A 108.7 . . ?
C14C C15C H15B 108.7 . . ?
C14C C15C C16C 114.3(4) . . ?
H15A C15C H15B 107.6 . . ?
C16C C15C H15A 108.7 . . ?
C16C C15C H15B 108.7 . . ?
C19C C20C H20A 108.7 . . ?
C19C C20C H20B 108.7 . . ?
C19C C20C C21C 114.3(4) . . ?
H20A C20C H20B 107.6 . . ?
C21C C20C H20A 108.7 . . ?
C21C C20C H20B 108.7 . . ?
S1 C42 Si1 121.7(3) . . ?
C41 C42 S1 110.5(3) . . ?
C41 C42 Si1 127.6(3) . . ?
C6C C7C H7CA 108.2 . . ?
C6C C7C H7CB 108.2 . . ?
H7CA C7C H7CB 107.3 . . ?
C8C C7C C6C 116.4(4) . . ?
C8C C7C H7CA 108.2 . . ?
C8C C7C H7CB 108.2 . . ?
C23 C22 S8 135.6(4) . . ?
C21 C22 S8 109.3(3) . . ?
C21 C22 C23 115.0(4) . . ?
C17C C16C C15C 114.1(3) . . ?
C17C C16C H16A 108.7 . . ?
C17C C16C H16B 108.7 . . ?
C15C C16C H16A 108.7 . . ?
C15C C16C H16B 108.7 . . ?
H16A C16C H16B 107.6 . . ?
C43 C44 C26 119.6(4) . . ?
C43 C44 C13A 121.7(4) . . ?
C26 C44 C13A 118.7(4) . . ?
C43 C1A H1AA 109.2 . . ?
C43 C1A H1AB 109.2 . . ?
H1AA C1A H1AB 107.9 . . ?
C2A C1A C43 112.2(4) . . ?
C2A C1A H1AA 109.2 . . ?
C2A C1A H1AB 109.2 . . ?
C14B C15B H15C 108.3 . . ?
C14B C15B H15D 108.3 . . ?
H15C C15B H15D 107.4 . . ?
C16B C15B C14B 115.8(4) . . ?
C16B C15B H15C 108.3 . . ?
C16B C15B H15D 108.3 . . ?
C44 C13A H13E 108.9 . . ?
C44 C13A H13F 108.9 . . ?
C44 C13A C14A 113.5(4) . . ?
H13E C13A H13F 107.7 . . ?
C14A C13A H13E 108.9 . . ?
C14A C13A H13F 108.9 . . ?
H17C C17B H17D 107.5 . . ?
C16B C17B H17C 108.5 . . ?
C16B C17B H17D 108.5 . . ?
C18B C17B H17C 108.5 . . ?
C18B C17B H17D 108.5 . . ?
C18B C17B C16B 114.9(4) . . ?
S8 C19 Si2 122.0(3) . . ?
C20 C19 S8 110.3(3) . . ?
C20 C19 Si2 127.5(4) . . ?
C22 C21 S7 111.9(3) . . ?
C22 C21 C20 114.8(4) . . ?
C20 C21 S7 133.3(4) . . ?
Si1 C9 H9 106.9 . . ?
C7 C9 Si1 112.0(3) . . ?
C7 C9 H9 106.9 . . ?
C8 C9 Si1 113.8(4) . . ?
C8 C9 H9 106.9 . . ?
C8 C9 C7 110.1(4) . . ?
C1A C2A H2AA 108.9 . . ?
C1A C2A H2AB 108.9 . . ?
C1A C2A C3A 113.2(4) . . ?
H2AA C2A H2AB 107.7 . . ?
C3A C2A H2AA 108.9 . . ?
C3A C2A H2AB 108.9 . . ?
C2B C3B H3BA 109.0 . . ?
C2B C3B H3BB 109.0 . . ?
C2B C3B C4B 113.1(4) . . ?
H3BA C3B H3BB 107.8 . . ?
C4B C3B H3BA 109.0 . . ?
C4B C3B H3BB 109.0 . . ?
C15B C16B C17B 113.0(4) . . ?
C15B C16B H16C 109.0 . . ?
C15B C16B H16D 109.0 . . ?
C17B C16B H16C 109.0 . . ?
C17B C16B H16D 109.0 . . ?
H16C C16B H16D 107.8 . . ?
C13A C14A H14E 108.9 . . ?
C13A C14A H14F 108.9 . . ?
H14E C14A H14F 107.7 . . ?
C15A C14A C13A 113.3(5) . . ?
C15A C14A H14E 108.9 . . ?
C15A C14A H14F 108.9 . . ?
C19 C20 C21 112.3(5) . . ?
C19 C20 H20 123.9 . . ?
C21 C20 H20 123.9 . . ?
Si1 C3 H3 105.8 . . ?
C1 C3 Si1 114.1(3) . . ?
C1 C3 H3 105.8 . . ?
C2 C3 Si1 114.7(4) . . ?
C2 C3 H3 105.8 . . ?
C2 C3 C1 109.7(4) . . ?
C7C C8C H8CA 109.0 . . ?
C7C C8C H8CB 109.0 . . ?
C7C C8C C9C 112.7(4) . . ?
H8CA C8C H8CB 107.8 . . ?
C9C C8C H8CA 109.0 . . ?
C9C C8C H8CB 109.0 . . ?
C2A C3A H3AA 109.1 . . ?
C2A C3A H3AB 109.1 . . ?
H3AA C3A H3AB 107.9 . . ?
C4A C3A C2A 112.3(4) . . ?
C4A C3A H3AA 109.1 . . ?
C4A C3A H3AB 109.1 . . ?
C17B C18B H18C 109.3 . . ?
C17B C18B H18D 109.3 . . ?
C17B C18B C19B 111.8(5) . . ?
H18C C18B H18D 107.9 . . ?
C19B C18B H18C 109.3 . . ?
C19B C18B H18D 109.3 . . ?
C3A C4A H4AA 108.5 . . ?
C3A C4A H4AB 108.5 . . ?
C3A C4A C5A 115.0(5) . . ?
H4AA C4A H4AB 107.5 . . ?
C5A C4A H4AA 108.5 . . ?
C5A C4A H4AB 108.5 . . ?
C9 C7 H7A 109.5 . . ?
C9 C7 H7B 109.5 . . ?
C9 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C1 H1A 109.5 . . ?
C3 C1 H1B 109.5 . . ?
C3 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
H5BA C5B H5BB 107.5 . . ?
C4B C5B H5BA 108.4 . . ?
C4B C5B H5BB 108.4 . . ?
C4B C5B C6B 115.5(4) . . ?
C6B C5B H5BA 108.4 . . ?
C6B C5B H5BB 108.4 . . ?
H6AA C6A H6AB 107.5 . . ?
C7A C6A H6AA 108.5 . . ?
C7A C6A H6AB 108.5 . . ?
C5A C6A H6AA 108.5 . . ?
C5A C6A H6AB 108.5 . . ?
C5A C6A C7A 114.9(5) . . ?
C8C C9C H9CA 108.3 . . ?
C8C C9C H9CB 108.3 . . ?
H9CA C9C H9CB 107.4 . . ?
C10C C9C C8C 115.8(4) . . ?
C10C C9C H9CA 108.3 . . ?
C10C C9C H9CB 108.3 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C4 H4A 109.5 . . ?
C6 C4 H4B 109.5 . . ?
C6 C4 H4C 109.5 . . ?
C3B C4B H4BA 108.5 . . ?
C3B C4B H4BB 108.5 . . ?
C5B C4B C3B 115.1(4) . . ?
C5B C4B H4BA 108.5 . . ?
C5B C4B H4BB 108.5 . . ?
H4BA C4B H4BB 107.5 . . ?
C9 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
C9 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C6 H6 105.3 . . ?
C4 C6 Si1 115.8(4) . . ?
C4 C6 H6 105.3 . . ?
C4 C6 C5 111.7(5) . . ?
C5 C6 Si1 112.3(4) . . ?
C5 C6 H6 105.3 . . ?
Si2 C13 H13 105.7 . . ?
C14 C13 Si2 114.4(4) . . ?
C14 C13 H13 105.7 . . ?
C15 C13 Si2 114.9(4) . . ?
C15 C13 H13 105.7 . . ?
C15 C13 C14 109.5(5) . . ?
C6A C7A H7AA 108.5 . . ?
C6A C7A H7AB 108.5 . . ?
H7AA C7A H7AB 107.5 . . ?
C8A C7A C6A 114.9(5) . . ?
C8A C7A H7AA 108.5 . . ?
C8A C7A H7AB 108.5 . . ?
C4A C5A H5AA 108.7 . . ?
C4A C5A H5AB 108.7 . . ?
C6A C5A C4A 114.3(5) . . ?
C6A C5A H5AA 108.7 . . ?
C6A C5A H5AB 108.7 . . ?
H5AA C5A H5AB 107.6 . . ?
C5B C6B H6BA 108.1 . . ?
C5B C6B H6BB 108.1 . . ?
H6BA C6B H6BB 107.3 . . ?
C7B C6B C5B 116.9(4) . . ?
C7B C6B H6BA 108.1 . . ?
C7B C6B H6BB 108.1 . . ?
C20C C21C H21A 109.1 . . ?
C20C C21C H21B 109.1 . . ?
C20C C21C C22C 112.7(4) . . ?
H21A C21C H21B 107.8 . . ?
C22C C21C H21A 109.1 . . ?
C22C C21C H21B 109.1 . . ?
Si2 C17 H17 105.9 . . ?
C18 C17 Si2 115.5(4) . . ?
C18 C17 H17 105.9 . . ?
C18 C17 C16 108.3(6) . . ?
C16 C17 Si2 114.6(5) . . ?
C16 C17 H17 105.9 . . ?
Si2 C10 H10 106.9 . . ?
C11 C10 Si2 113.0(4) . . ?
C11 C10 H10 106.9 . . ?
C12 C10 Si2 111.6(5) . . ?
C12 C10 H10 106.9 . . ?
C12 C10 C11 111.1(6) . . ?
C6B C7B H7BA 108.1 . . ?
C6B C7B H7BB 108.1 . . ?
C6B C7B C8B 116.8(5) . . ?
H7BA C7B H7BB 107.3 . . ?
C8B C7B H7BA 108.1 . . ?
C8B C7B H7BB 108.1 . . ?
C7B C8B H8BA 108.0 . . ?
C7B C8B H8BB 108.0 . . ?
H8BA C8B H8BB 107.3 . . ?
C9B C8B C7B 117.1(6) . . ?
C9B C8B H8BA 108.0 . . ?
C9B C8B H8BB 108.0 . . ?
C18B C19B H19C 107.8 . . ?
C18B C19B H19D 107.8 . . ?
C18B C19B H19E 110.8 . . ?
C18B C19B H19F 110.8 . . ?
C18B C19B C20B 118.0(5) . . ?
C18B C19B C20' 104.6(8) . . ?
H19C C19B H19D 107.1 . . ?
H19E C19B H19F 108.9 . . ?
C20B C19B H19C 107.8 . . ?
C20B C19B H19D 107.8 . . ?
C20' C19B H19E 110.8 . . ?
C20' C19B H19F 110.8 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C7A C8A H8AA 108.6 . . ?
C7A C8A H8AB 108.6 . . ?
C7A C8A C9A 114.5(5) . . ?
H8AA C8A H8AB 107.6 . . ?
C9A C8A H8AA 108.6 . . ?
C9A C8A H8AB 108.6 . . ?
C9C C10C H10A 108.9 . . ?
C9C C10C H10B 108.9 . . ?
C9C C10C C11C 113.5(5) . . ?
H10A C10C H10B 107.7 . . ?
C11C C10C H10A 108.9 . . ?
C11C C10C H10B 108.9 . . ?
C10C C11C H11A 108.6 . . ?
C10C C11C H11B 108.6 . . ?
H11A C11C H11B 107.6 . . ?
C12C C11C C10C 114.6(6) . . ?
C12C C11C H11A 108.6 . . ?
C12C C11C H11B 108.6 . . ?
C13 C14 H14G 109.5 . . ?
C13 C14 H14H 109.5 . . ?
C13 C14 H14I 109.5 . . ?
H14G C14 H14H 109.5 . . ?
H14G C14 H14I 109.5 . . ?
H14H C14 H14I 109.5 . . ?
C14A C15A H15E 108.5 . . ?
C14A C15A H15F 108.5 . . ?
C14A C15A C16A 115.2(5) . . ?
H15E C15A H15F 107.5 . . ?
C16A C15A H15E 108.5 . . ?
C16A C15A H15F 108.5 . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
C6 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C10 C11 H11C 109.5 . . ?
C10 C11 H11D 109.5 . . ?
C10 C11 H11E 109.5 . . ?
H11C C11 H11D 109.5 . . ?
H11C C11 H11E 109.5 . . ?
H11D C11 H11E 109.5 . . ?
C17 C18 H18E 109.5 . . ?
C17 C18 H18F 109.5 . . ?
C17 C18 H18G 109.5 . . ?
H18E C18 H18F 109.5 . . ?
H18E C18 H18G 109.5 . . ?
H18F C18 H18G 109.5 . . ?
H11F C11A H11G 107.3 . . ?
C10A C11A H11F 108.1 . . ?
C10A C11A H11G 108.1 . . ?
C12A C11A H11F 108.1 . . ?
C12A C11A H11G 108.1 . . ?
C12A C11A C10A 116.9(6) . . ?
C15A C16A H16E 110.9 . . ?
C15A C16A H16F 110.9 . . ?
C15A C16A C17A 104.4(5) . . ?
H16E C16A H16F 108.9 . . ?
C17A C16A H16E 110.9 . . ?
C17A C16A H16F 110.9 . . ?
C8A C9A H9AA 108.1 . . ?
C8A C9A H9AB 108.1 . . ?
H9AA C9A H9AB 107.3 . . ?
C10A C9A C8A 116.7(6) . . ?
C10A C9A H9AA 108.1 . . ?
C10A C9A H9AB 108.1 . . ?
C21C C22C H22A 109.3 . . ?
C21C C22C H22B 109.3 . . ?
H22A C22C H22B 107.9 . . ?
C23C C22C C21C 111.7(5) . . ?
C23C C22C H22A 109.3 . . ?
C23C C22C H22B 109.3 . . ?
C17 C16 H16G 109.5 . . ?
C17 C16 H16H 109.5 . . ?
C17 C16 H16I 109.5 . . ?
H16G C16 H16H 109.5 . . ?
H16G C16 H16I 109.5 . . ?
H16H C16 H16I 109.5 . . ?
C13 C15 H15G 109.5 . . ?
C13 C15 H15H 109.5 . . ?
C13 C15 H15I 109.5 . . ?
H15G C15 H15H 109.5 . . ?
H15G C15 H15I 109.5 . . ?
H15H C15 H15I 109.5 . . ?
H20C C20A H20D 108.6 . . ?
H20E C20A H20F 106.9 . . ?
C21A C20A H20C 110.4 . . ?
C21A C20A H20D 110.4 . . ?
C19A C20A H20C 110.4 . . ?
C19A C20A H20D 110.4 . . ?
C19A C20A H20E 107.3 . . ?
C19A C20A H20F 107.3 . . ?
C19A C20A C21A 106.5(6) . . ?
C19A C20A C49 120.1(11) . . ?
C49 C20A H20E 107.3 . . ?
C49 C20A H20F 107.3 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11A C10A H10C 108.5 . . ?
C11A C10A H10D 108.5 . . ?
C9A C10A C11A 115.0(6) . . ?
C9A C10A H10C 108.5 . . ?
C9A C10A H10D 108.5 . . ?
H10C C10A H10D 107.5 . . ?
C8B C9B H9BA 106.9 . . ?
C8B C9B H9BB 106.9 . . ?
C8B C9B C10B 121.9(7) . . ?
H9BA C9B H9BB 106.7 . . ?
C10B C9B H9BA 106.9 . . ?
C10B C9B H9BB 106.9 . . ?
C11A C12A H12D 109.5 . . ?
C11A C12A H12E 109.5 . . ?
C11A C12A H12F 109.5 . . ?
H12D C12A H12E 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
C11C C12C H12G 109.5 . . ?
C11C C12C H12H 109.5 . . ?
C11C C12C H12I 109.5 . . ?
H12G C12C H12H 109.5 . . ?
H12G C12C H12I 109.5 . . ?
H12H C12C H12I 109.5 . . ?
C19B C20B H20G 109.8 . . ?
C19B C20B H20H 109.8 . . ?
C19B C20B C21B 109.2(5) . . ?
H20G C20B H20H 108.3 . . ?
C21B C20B H20G 109.8 . . ?
C21B C20B H20H 109.8 . . ?
C20B C21B H21C 111.1 . . ?
C20B C21B H21D 111.1 . . ?
H21C C21B H21D 109.1 . . ?
C22B C21B C20B 103.4(5) . . ?
C22B C21B H21C 111.1 . . ?
C22B C21B H21D 111.1 . . ?
C20A C21A H21E 109.6 . . ?
C20A C21A H21F 109.6 . . ?
H21E C21A H21F 108.1 . . ?
C22A C21A C20A 110.4(6) . . ?
C22A C21A H21E 109.6 . . ?
C22A C21A H21F 109.6 . . ?
C22C C23C H23A 109.1 . . ?
C22C C23C H23B 109.1 . . ?
C22C C23C C24C 112.5(6) . . ?
H23A C23C H23B 107.8 . . ?
C24C C23C H23A 109.1 . . ?
C24C C23C H23B 109.1 . . ?
H12J C12B H12K 109.5 . . ?
H12J C12B H12L 109.5 . . ?
H12K C12B H12L 109.5 . . ?
C11B C12B H12J 109.5 . . ?
C11B C12B H12K 109.5 . . ?
C11B C12B H12L 109.5 . . ?
C21B C22B H22C 110.2 . . ?
C21B C22B H22D 110.2 . . ?
C21B C22B C23B 107.6(7) . . ?
H22C C22B H22D 108.5 . . ?
H22E C22B H22F 107.6 . . ?
C23B C22B H22C 110.2 . . ?
C23B C22B H22D 110.2 . . ?
C23B C22B H22E 108.7 . . ?
C23B C22B H22F 108.7 . . ?
C23B C22B C21' 114.4(9) . . ?
C21' C22B H22E 108.7 . . ?
C21' C22B H22F 108.7 . . ?
C9B C10B H10E 109.1 . . ?
C9B C10B H10F 109.1 . . ?
H10E C10B H10F 107.9 . . ?
C11B C10B C9B 112.3(7) . . ?
C11B C10B H10E 109.1 . . ?
C11B C10B H10F 109.1 . . ?
C20A C19A H19G 109.1 . . ?
C20A C19A H19H 109.1 . . ?
C20A C19A H19I 116.7 . . ?
C20A C19A H19J 116.7 . . ?
C20A C19A C18A 112.6(7) . . ?
C20A C19A C18' 69.4(11) . . ?
H19G C19A H19H 107.8 . . ?
H19I C19A H19J 113.7 . . ?
C18A C19A H19G 109.1 . . ?
C18A C19A H19H 109.1 . . ?
C18' C19A H19I 116.7 . . ?
C18' C19A H19J 116.7 . . ?
C16A C17A H17E 110.5 . . ?
C16A C17A H17F 110.5 . . ?
C16A C17A H17G 93.2 . . ?
C16A C17A H17H 93.2 . . ?
C16A C17A C18' 169.6(15) . . ?
H17E C17A H17F 108.7 . . ?
H17G C17A H17H 103.0 . . ?
C18A C17A C16A 106.2(5) . . ?
C18A C17A H17E 110.5 . . ?
C18A C17A H17F 110.5 . . ?
C18' C17A H17G 93.2 . . ?
C18' C17A H17H 93.2 . . ?
C21A C22A H22G 107.8 . . ?
C21A C22A H22H 107.8 . . ?
C21A C22A C23A 117.9(8) . . ?
H22G C22A H22H 107.2 . . ?
H22I C22A H22J 105.8 . . ?
C23A C22A H22G 107.8 . . ?
C23A C22A H22H 107.8 . . ?
C23A C22A H22I 104.8 . . ?
C23A C22A H22J 104.8 . . ?
C23A C22A C49 129.7(11) . . ?
C49 C22A H22I 104.8 . . ?
C49 C22A H22J 104.8 . . ?
C19A C18A H18H 110.0 . . ?
C19A C18A H18I 110.0 . . ?
C17A C18A C19A 108.5(6) . . ?
C17A C18A H18H 110.0 . . ?
C17A C18A H18I 110.0 . . ?
H18H C18A H18I 108.4 . . ?
C12B C11B H11H 110.6 . . ?
C12B C11B H11I 110.6 . . ?
C10B C11B C12B 105.6(7) . . ?
C10B C11B H11H 110.6 . . ?
C10B C11B H11I 110.6 . . ?
H11H C11B H11I 108.7 . . ?
C22B C23B H23C 112.4 . . ?
C22B C23B H23D 112.4 . . ?
C22B C23B H23E 99.6 . . ?
C22B C23B H23F 99.6 . . ?
H23C C23B H23D 110.0 . . ?
H23E C23B H23F 104.1 . . ?
C24B C23B C22B 96.7(7) . . ?
C24B C23B H23C 112.4 . . ?
C24B C23B H23D 112.4 . . ?
C50 C23B C22B 148.4(18) . . ?
C50 C23B H23E 99.6 . . ?
C50 C23B H23F 99.6 . . ?
C23C C24C H24A 109.5 . . ?
C23C C24C H24B 109.5 . . ?
C23C C24C H24C 109.5 . . ?
H24A C24C H24B 109.5 . . ?
H24A C24C H24C 109.5 . . ?
H24B C24C H24C 109.5 . . ?
C23B C24B H24D 109.5 . . ?
C23B C24B H24E 109.5 . . ?
C23B C24B H24F 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C22A C23A H23G 110.8 . . ?
C22A C23A H23H 110.8 . . ?
C22A C23A H23I 95.5 . . ?
C22A C23A H23J 95.5 . . ?
H23G C23A H23H 108.9 . . ?
H23I C23A H23J 103.3 . . ?
C24A C23A C22A 104.8(8) . . ?
C24A C23A H23G 110.8 . . ?
C24A C23A H23H 110.8 . . ?
C24' C23A C22A 162.1(17) . . ?
C24' C23A H23I 95.5 . . ?
C24' C23A H23J 95.5 . . ?
C23A C24A H24G 109.5 . . ?
C23A C24A H24H 109.5 . . ?
C23A C24A H24I 109.5 . . ?
H24G C24A H24H 109.5 . . ?
H24G C24A H24I 109.5 . . ?
H24H C24A H24I 109.5 . . ?
C20A C49 C22A 110.4(6) . . ?
C20A C49 H49A 109.6 . . ?
C20A C49 H49B 109.6 . . ?
C22A C49 H49A 109.6 . . ?
C22A C49 H49B 109.6 . . ?
H49A C49 H49B 108.1 . . ?
C19A C18' H18J 110.0 . . ?
C19A C18' H18K 110.0 . . ?
C17A C18' C19A 108.5(6) . . ?
C17A C18' H18J 110.0 . . ?
C17A C18' H18K 110.0 . . ?
H18J C18' H18K 108.4 . . ?
C23A C24' H24J 109.5 . . ?
C23A C24' H24K 109.5 . . ?
C23A C24' H24L 109.5 . . ?
H24J C24' H24K 109.5 . . ?
H24J C24' H24L 109.5 . . ?
H24K C24' H24L 109.5 . . ?
C19B C20' H20I 105.8 . . ?
C19B C20' H20J 105.8 . . ?
C19B C20' C21' 126.1(15) . . ?
H20I C20' H20J 106.2 . . ?
C21' C20' H20I 105.8 . . ?
C21' C20' H20J 105.8 . . ?
C22B C21' C20' 130.3(15) . . ?
C22B C21' H21G 104.7 . . ?
C22B C21' H21H 104.7 . . ?
C20' C21' H21G 104.7 . . ?
C20' C21' H21H 104.7 . . ?
H21G C21' H21H 105.7 . . ?
C23B C50 H50A 109.5 . . ?
C23B C50 H50B 109.5 . . ?
C23B C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 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
S4 C31 C30 S5 3.5(5) . . . . ?
S4 C31 C30 C29 -177.3(3) . . . . ?
S2 C37 C36 S3 -2.5(5) . . . . ?
S2 C37 C36 C35 175.5(3) . . . . ?
S2 C37 C38 C46 -178.2(3) . . . . ?
S2 C37 C38 C39 -1.0(4) . . . . ?
S3 C36 C35 C45 179.2(3) . . . . ?
S3 C36 C35 C34 -0.7(4) . . . . ?
S3 C33 C34 S4 178.88(18) . . . . ?
S3 C33 C34 C35 -0.7(4) . . . . ?
S5 C27 C26 C25 -175.5(3) . . . . ?
S5 C27 C26 C44 3.4(7) . . . . ?
S6 C28 C29 C47 4.8(6) . . . . ?
S6 C28 C29 C30 -177.2(3) . . . . ?
S6 C28 C27 S5 177.24(19) . . . . ?
S6 C28 C27 C26 -0.3(4) . . . . ?
S6 C25 C24 S7 4.4(6) . . . . ?
S6 C25 C24 C23 178.5(3) . . . . ?
S6 C25 C26 C27 -1.9(4) . . . . ?
S6 C25 C26 C44 179.0(3) . . . . ?
S1 C39 C40 S2 175.3(2) . . . . ?
S1 C39 C40 C41 0.6(4) . . . . ?
S7 C21 C20 C19 -177.7(4) . . . . ?
S8 C22 C21 S7 177.8(2) . . . . ?
S8 C22 C21 C20 -0.9(5) . . . . ?
S8 C19 C20 C21 0.0(5) . . . . ?
Si2 C19 C20 C21 174.8(4) . . . . ?
C48 C32 C31 S4 179.1(3) . . . . ?
C48 C32 C31 C30 -1.1(5) . . . . ?
C48 C32 C33 S3 2.5(6) . . . . ?
C48 C32 C33 C34 179.9(4) . . . . ?
C48 C47 C29 C28 177.8(4) . . . . ?
C48 C47 C29 C30 0.1(5) . . . . ?
C48 C47 C1C C2C 96.5(4) . . . . ?
C48 C13C C14C C15C 167.1(3) . . . . ?
C46 C45 C35 C36 1.3(5) . . . . ?
C46 C45 C35 C34 -178.9(4) . . . . ?
C46 C45 C1B C2B 93.4(4) . . . . ?
C46 C38 C39 S1 6.5(7) . . . . ?
C46 C38 C39 C40 175.2(4) . . . . ?
C46 C13B C14B C15B -176.8(3) . . . . ?
C32 C48 C47 C29 1.8(5) . . . . ?
C32 C48 C47 C1C -177.7(3) . . . . ?
C32 C48 C13C C14C 90.6(4) . . . . ?
C32 C31 C30 S5 -176.3(3) . . . . ?
C32 C31 C30 C29 2.9(5) . . . . ?
C32 C33 C34 S4 0.9(4) . . . . ?
C32 C33 C34 C35 -178.7(3) . . . . ?
C45 C46 C38 C37 3.9(5) . . . . ?
C45 C46 C38 C39 -172.7(4) . . . . ?
C45 C46 C13B C14B -101.4(4) . . . . ?
C45 C35 C34 S4 1.6(6) . . . . ?
C45 C35 C34 C33 -179.0(4) . . . . ?
C45 C1B C2B C3B -178.2(4) . . . . ?
C47 C48 C32 C31 -1.3(5) . . . . ?
C47 C48 C32 C33 178.9(4) . . . . ?
C47 C48 C13C C14C -90.7(4) . . . . ?
C47 C29 C30 S5 176.9(3) . . . . ?
C47 C29 C30 C31 -2.4(5) . . . . ?
C47 C1C C2C C3C -171.4(3) . . . . ?
C13C C48 C32 C31 177.4(3) . . . . ?
C13C C48 C32 C33 -2.5(6) . . . . ?
C13C C48 C47 C29 -176.8(3) . . . . ?
C13C C48 C47 C1C 3.7(5) . . . . ?
C13C C14C C15C C16C 66.9(4) . . . . ?
C28 S6 C25 C24 -176.7(4) . . . . ?
C28 S6 C25 C26 1.6(3) . . . . ?
C28 C29 C30 S5 -1.3(4) . . . . ?
C28 C29 C30 C31 179.4(3) . . . . ?
C28 C27 C26 C25 1.4(5) . . . . ?
C28 C27 C26 C44 -179.7(4) . . . . ?
C37 S2 C40 C41 170.0(4) . . . . ?
C37 S2 C40 C39 -3.5(3) . . . . ?
C37 C36 C35 C45 1.0(5) . . . . ?
C37 C36 C35 C34 -178.9(3) . . . . ?
C37 C38 C39 S1 -170.4(3) . . . . ?
C37 C38 C39 C40 -1.7(4) . . . . ?
C31 S4 C34 C35 178.2(4) . . . . ?
C31 S4 C34 C33 -1.2(3) . . . . ?
C31 C32 C33 S3 -177.4(3) . . . . ?
C31 C32 C33 C34 0.0(4) . . . . ?
C36 S3 C33 C32 177.7(4) . . . . ?
C36 S3 C33 C34 0.2(3) . . . . ?
C36 C37 C38 C46 -1.6(5) . . . . ?
C36 C37 C38 C39 175.7(3) . . . . ?
C36 C35 C34 S4 -178.5(3) . . . . ?
C36 C35 C34 C33 0.9(4) . . . . ?
C38 C46 C45 C35 -3.6(5) . . . . ?
C38 C46 C45 C1B 177.8(3) . . . . ?
C38 C46 C13B C14B 75.2(4) . . . . ?
C38 C37 C36 S3 -178.8(3) . . . . ?
C38 C37 C36 C35 -0.8(5) . . . . ?
C38 C39 C40 S2 3.6(4) . . . . ?
C38 C39 C40 C41 -171.1(3) . . . . ?
C35 C45 C1B C2B -85.2(4) . . . . ?
C29 C47 C1C C2C -83.0(4) . . . . ?
C29 C28 C27 S5 -2.5(4) . . . . ?
C29 C28 C27 C26 180.0(3) . . . . ?
C1C C47 C29 C28 -2.7(6) . . . . ?
C1C C47 C29 C30 179.6(3) . . . . ?
C1C C2C C3C C4C 77.8(4) . . . . ?
C13B C46 C45 C35 172.9(3) . . . . ?
C13B C46 C45 C1B -5.6(5) . . . . ?
C13B C46 C38 C37 -172.9(3) . . . . ?
C13B C46 C38 C39 10.5(6) . . . . ?
C13B C14B C15B C16B -60.3(5) . . . . ?
C33 S3 C36 C37 178.4(3) . . . . ?
C33 S3 C36 C35 0.3(3) . . . . ?
C33 C32 C31 S4 -1.0(4) . . . . ?
C33 C32 C31 C30 178.8(3) . . . . ?
C34 S4 C31 C32 1.3(3) . . . . ?
C34 S4 C31 C30 -178.5(3) . . . . ?
C1B C45 C35 C36 179.9(3) . . . . ?
C1B C45 C35 C34 -0.2(6) . . . . ?
C1B C2B C3B C4B 77.2(5) . . . . ?
C14C C15C C16C C17C 79.2(4) . . . . ?
C30 S5 C27 C28 1.4(3) . . . . ?
C30 S5 C27 C26 178.4(4) . . . . ?
C23 C43 C44 C26 -0.6(6) . . . . ?
C23 C43 C44 C13A 179.3(4) . . . . ?
C23 C43 C1A C2A 77.4(5) . . . . ?
C23 C22 C21 S7 -2.3(5) . . . . ?
C23 C22 C21 C20 179.1(4) . . . . ?
C39 S1 C42 Si1 -173.6(3) . . . . ?
C39 S1 C42 C41 1.4(4) . . . . ?
C14B C15B C16B C17B -158.8(4) . . . . ?
C6C C7C C8C C9C 176.6(4) . . . . ?
C27 S5 C30 C31 179.3(3) . . . . ?
C27 S5 C30 C29 0.0(3) . . . . ?
C27 C28 C29 C47 -175.5(4) . . . . ?
C27 C28 C29 C30 2.4(4) . . . . ?
C27 C26 C44 C43 -176.1(4) . . . . ?
C27 C26 C44 C13A 4.0(6) . . . . ?
C5C C4C C3C C2C -178.5(3) . . . . ?
C5C C6C C7C C8C -172.5(4) . . . . ?
C3C C4C C5C C6C -173.0(3) . . . . ?
C25 S6 C28 C29 179.0(4) . . . . ?
C25 S6 C28 C27 -0.7(3) . . . . ?
C25 C26 C44 C43 2.7(6) . . . . ?
C25 C26 C44 C13A -177.2(4) . . . . ?
C40 S2 C37 C36 -173.9(3) . . . . ?
C40 S2 C37 C38 2.5(3) . . . . ?
C40 C41 C42 S1 -1.3(5) . . . . ?
C40 C41 C42 Si1 173.3(3) . . . . ?
C43 C23 C24 S7 176.6(3) . . . . ?
C43 C23 C24 C25 1.7(6) . . . . ?
C43 C23 C22 S8 4.7(8) . . . . ?
C43 C23 C22 C21 -175.2(4) . . . . ?
C43 C44 C13A C14A 90.0(5) . . . . ?
C43 C1A C2A C3A -173.6(4) . . . . ?
C2B C3B C4B C5B 171.3(4) . . . . ?
C24 S7 C21 C22 1.3(4) . . . . ?
C24 S7 C21 C20 179.6(5) . . . . ?
C24 C23 C43 C44 -1.6(6) . . . . ?
C24 C23 C43 C1A -177.8(4) . . . . ?
C24 C23 C22 S8 -177.9(4) . . . . ?
C24 C23 C22 C21 2.2(5) . . . . ?
C24 C25 C26 C27 176.4(4) . . . . ?
C24 C25 C26 C44 -2.6(6) . . . . ?
C17C C18C C19C C20C 179.7(4) . . . . ?
C26 C25 C24 S7 -173.8(3) . . . . ?
C26 C25 C24 C23 0.4(6) . . . . ?
C26 C44 C13A C14A -90.1(5) . . . . ?
C18C C17C C16C C15C -178.5(4) . . . . ?
C18C C19C C20C C21C -177.0(5) . . . . ?
C19C C20C C21C C22C 171.2(5) . . . . ?
C20C C21C C22C C23C -166.9(7) . . . . ?
C42 S1 C39 C38 167.9(4) . . . . ?
C42 S1 C39 C40 -1.1(3) . . . . ?
C42 Si1 C9 C7 55.7(4) . . . . ?
C42 Si1 C9 C8 -69.9(4) . . . . ?
C42 Si1 C3 C1 64.5(4) . . . . ?
C42 Si1 C3 C2 -167.8(4) . . . . ?
C42 Si1 C6 C4 -53.5(5) . . . . ?
C42 Si1 C6 C5 176.5(4) . . . . ?
C42 C41 C40 S2 -173.0(3) . . . . ?
C42 C41 C40 C39 0.5(5) . . . . ?
C7C C6C C5C C4C 177.9(4) . . . . ?
C7C C8C C9C C10C -177.0(5) . . . . ?
C22 S8 C19 Si2 -175.6(3) . . . . ?
C22 S8 C19 C20 -0.5(4) . . . . ?
C22 C23 C43 C44 175.5(4) . . . . ?
C22 C23 C43 C1A -0.6(7) . . . . ?
C22 C23 C24 S7 -1.1(4) . . . . ?
C22 C23 C24 C25 -176.0(4) . . . . ?
C22 C21 C20 C19 0.5(6) . . . . ?
C16C C17C C18C C19C -172.7(4) . . . . ?
C44 C43 C1A C2A -98.6(5) . . . . ?
C44 C13A C14A C15A -171.5(4) . . . . ?
C1A C43 C44 C26 175.4(4) . . . . ?
C1A C43 C44 C13A -4.7(6) . . . . ?
C1A C2A C3A C4A 175.3(4) . . . . ?
C13A C14A C15A C16A -62.6(7) . . . . ?
C17B C18B C19B C20B 174.8(6) . . . . ?
C17B C18B C19B C20' -158.7(10) . . . . ?
C19 S8 C22 C23 -179.2(5) . . . . ?
C19 S8 C22 C21 0.7(4) . . . . ?
C19 Si2 C13 C14 -170.9(5) . . . . ?
C19 Si2 C13 C15 61.2(5) . . . . ?
C19 Si2 C17 C18 -61.5(6) . . . . ?
C19 Si2 C17 C16 171.6(5) . . . . ?
C19 Si2 C10 C11 63.6(5) . . . . ?
C19 Si2 C10 C12 -62.5(5) . . . . ?
C21 S7 C24 C23 -0.1(3) . . . . ?
C21 S7 C24 C25 174.4(4) . . . . ?
C9 Si1 C42 S1 70.7(3) . . . . ?
C9 Si1 C42 C41 -103.5(5) . . . . ?
C9 Si1 C3 C1 -178.0(3) . . . . ?
C9 Si1 C3 C2 -50.2(4) . . . . ?
C9 Si1 C6 C4 -171.5(4) . . . . ?
C9 Si1 C6 C5 58.6(5) . . . . ?
C2A C3A C4A C5A 174.7(5) . . . . ?
C16B C17B C18B C19B -176.7(4) . . . . ?
C14A C15A C16A C17A 176.2(6) . . . . ?
C3 Si1 C42 S1 -171.8(3) . . . . ?
C3 Si1 C42 C41 14.1(5) . . . . ?
C3 Si1 C9 C7 -59.4(4) . . . . ?
C3 Si1 C9 C8 175.1(3) . . . . ?
C3 Si1 C6 C4 64.6(5) . . . . ?
C3 Si1 C6 C5 -65.3(5) . . . . ?
C8C C9C C10C C11C 178.9(5) . . . . ?
C3A C4A C5A C6A 176.3(5) . . . . ?
C18B C17B C16B C15B -174.4(4) . . . . ?
C18B C19B C20B C21B -173.6(7) . . . . ?
C18B C19B C20' C21' 178.4(17) . . . . ?
C5B C6B C7B C8B -174.2(5) . . . . ?
C6A C7A C8A C9A 176.8(6) . . . . ?
C9C C10C C11C C12C 179.6(6) . . . . ?
C4B C5B C6B C7B 178.9(5) . . . . ?
C6 Si1 C42 S1 -46.5(4) . . . . ?
C6 Si1 C42 C41 139.4(4) . . . . ?
C6 Si1 C9 C7 172.4(3) . . . . ?
C6 Si1 C9 C8 46.8(4) . . . . ?
C6 Si1 C3 C1 -54.7(4) . . . . ?
C6 Si1 C3 C2 73.1(4) . . . . ?
C13 Si2 C19 S8 -146.4(3) . . . . ?
C13 Si2 C19 C20 39.4(5) . . . . ?
C13 Si2 C17 C18 60.4(6) . . . . ?
C13 Si2 C17 C16 -66.6(6) . . . . ?
C13 Si2 C10 C11 -53.2(5) . . . . ?
C13 Si2 C10 C12 -179.3(4) . . . . ?
C7A C6A C5A C4A 173.9(5) . . . . ?
C7A C8A C9A C10A 171.8(6) . . . . ?
C5A C6A C7A C8A 177.8(6) . . . . ?
C6B C5B C4B C3B -172.7(5) . . . . ?
C6B C7B C8B C9B -179.3(6) . . . . ?
C21C C22C C23C C24C 176.0(7) . . . . ?
C17 Si2 C19 S8 -19.7(4) . . . . ?
C17 Si2 C19 C20 166.1(5) . . . . ?
C17 Si2 C13 C14 68.3(5) . . . . ?
C17 Si2 C13 C15 -59.6(5) . . . . ?
C17 Si2 C10 C11 178.9(5) . . . . ?
C17 Si2 C10 C12 52.8(5) . . . . ?
C10 Si2 C19 S8 97.6(4) . . . . ?
C10 Si2 C19 C20 -76.6(5) . . . . ?
C10 Si2 C13 C14 -55.4(5) . . . . ?
C10 Si2 C13 C15 176.7(5) . . . . ?
C10 Si2 C17 C18 -176.9(5) . . . . ?
C10 Si2 C17 C16 56.1(6) . . . . ?
C7B C8B C9B C10B -169.0(6) . . . . ?
C8B C9B C10B C11B -64.4(11) . . . . ?
C19B C20B C21B C22B -173.3(7) . . . . ?
C19B C20' C21' C22B 83(3) . . . . ?
C8A C9A C10A C11A -67.0(9) . . . . ?
C15A C16A C17A C18A 166.5(6) . . . . ?
C15A C16A C17A C18' -120(4) . . . . ?
C16A C17A C18A C19A 162.3(7) . . . . ?
C16A C17A C18' C19A -70(6) . . . . ?
C20A C21A C22A C23A 179.6(8) . . . . ?
C20A C19A C18A C17A 64.1(9) . . . . ?
C20A C19A C18' C17A -131(2) . . . . ?
C9B C10B C11B C12B -174.4(7) . . . . ?
C12A C11A C10A C9A -69.7(8) . . . . ?
C20B C21B C22B C23B 157.6(7) . . . . ?
C21B C22B C23B C24B 90.2(9) . . . . ?
C21A C20A C19A C18A 177.1(7) . . . . ?
C21A C22A C23A C24A 67.3(13) . . . . ?
C19A C20A C21A C22A 178.7(8) . . . . ?
C19A C20A C49 C22A -138.2(16) . . . . ?
C23B C22B C21' C20' -156.4(19) . . . . ?
C23A C22A C49 C20A 146.0(14) . . . . ?
C49 C20A C19A C18' -86.4(16) . . . . ?
C49 C22A C23A C24' 53(6) . . . . ?
C21' C22B C23B C50 111(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
