# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_Cs3
_database_code_depnum_ccdc_archive 'CCDC 948063'
_audit_update_record             
;
2013-06-29 deposited with the CCDC.
2015-12-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H38 Cs3 O6'
_chemical_formula_sum            'C32 H38 Cs3 O6'
_chemical_formula_weight         917.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1   '
_symmetry_space_group_name_Hall  '-C 2yc      '
_symmetry_int_tables_number      15

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   23.597(3)
_cell_length_b                   14.073(2)
_cell_length_c                   19.874(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.283(2)
_cell_angle_gamma                90.00
_cell_volume                     6589.1(16)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7161
_cell_measurement_theta_min      2.89
_cell_measurement_theta_max      28.17

_exptl_crystal_description       prism
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3544
_exptl_absorpt_coefficient_mu    3.342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS  (Bruker-AXS, 2003)
;
_exptl_absorpt_correction_T_min  0.6519
_exptl_absorpt_correction_T_max  0.8779

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '0.30° ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27870
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0481
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         28.27
_reflns_number_total             7687
_reflns_number_gt                6325
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'SMART Ver. 5.622 (Bruker-AXS, 2003)'
_computing_cell_refinement       'SAINT Ver. 6.22  (Bruker-AXS, 2003)'
_computing_data_reduction        'SAINT Ver. 6.22'
_computing_structure_solution    'SHELXTL Ver. 6.14 (Bruker-AXS, 2003)'
_computing_structure_refinement  'SHELXTL Ver. 6.14'
_computing_molecular_graphics    'SHELXTL Ver. 6.14'
_computing_publication_material  'SHELXTL Ver. 6.14'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0474P)²+16.2047P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7687
_refine_ls_number_parameters     374
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0449
_refine_ls_wR_factor_ref         0.1052
_refine_ls_wR_factor_gt          0.0978
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.090
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.278594(14) 0.55573(2) 0.238712(16) 0.02260(9) Uani 1 1 d . . .
Cs2 Cs 0.313908(14) 0.41453(2) 0.423422(16) 0.02126(9) Uani 1 1 d . . .
Cs3 Cs 0.117366(14) 0.67183(3) -0.018096(17) 0.02461(10) Uani 1 1 d . . .
O1 O 0.39882(17) 0.5202(3) 0.3346(2) 0.0328(10) Uani 1 1 d . . .
O2 O 0.32059(17) 0.6494(3) 0.3720(2) 0.0297(9) Uani 1 1 d . . .
O3 O 0.21919(18) 0.5675(3) 0.3868(2) 0.0299(9) Uani 1 1 d . . .
O4 O 0.01024(18) 0.5497(3) -0.0969(2) 0.0324(10) Uani 1 1 d . . .
O5 O -0.00795(16) 0.6756(3) 0.0154(2) 0.0307(10) Uani 1 1 d . . .
O6 O 0.05556(17) 0.8264(3) 0.0700(2) 0.0303(9) Uani 1 1 d . . .
C1 C 0.4157(2) 0.6212(4) 0.1243(3) 0.0242(12) Uani 1 1 d . . .
H1 H 0.4494 0.5875 0.1157 0.029 Uiso 1 1 calc R . .
C2 C 0.4202(2) 0.7046(4) 0.1654(3) 0.0233(11) Uani 1 1 d . . .
H2 H 0.4566 0.7234 0.1834 0.028 Uiso 1 1 calc R . .
C3 C 0.3723(2) 0.7604(4) 0.1803(3) 0.0217(11) Uani 1 1 d . . .
C4 C 0.3615(2) 0.8239(4) 0.2341(3) 0.0222(11) Uani 1 1 d . . .
H4 H 0.3932 0.8510 0.2589 0.027 Uiso 1 1 calc R . .
C5 C 0.3064(2) 0.8491(4) 0.2527(3) 0.0240(12) Uani 1 1 d . . .
H5 H 0.3027 0.8921 0.2891 0.029 Uiso 1 1 calc R . .
C6 C 0.2557(2) 0.8118(4) 0.2187(3) 0.0218(11) Uani 1 1 d . . .
C7 C 0.1985(2) 0.8037(4) 0.2377(3) 0.0239(12) Uani 1 1 d . . .
H7 H 0.1858 0.8450 0.2715 0.029 Uiso 1 1 calc R . .
C8 C 0.1594(2) 0.7355(4) 0.2076(3) 0.0228(11) Uani 1 1 d . . .
H8 H 0.1225 0.7312 0.2242 0.027 Uiso 1 1 calc R . .
C9 C 0.1734(2) 0.6740(4) 0.1543(3) 0.0229(11) Uani 1 1 d . . .
C10 C 0.1512(2) 0.5829(4) 0.1333(3) 0.0255(12) Uani 1 1 d . . .
H10 H 0.1137 0.5667 0.1443 0.031 Uiso 1 1 calc R . .
C11 C 0.1828(2) 0.5157(4) 0.0968(3) 0.0243(12) Uani 1 1 d . . .
H11 H 0.1653 0.4571 0.0840 0.029 Uiso 1 1 calc R . .
C12 C 0.2398(2) 0.5329(4) 0.0786(3) 0.0230(11) Uani 1 1 d . . .
C13 C 0.2849(2) 0.4676(4) 0.0692(3) 0.0250(12) Uani 1 1 d . . .
H13 H 0.2753 0.4038 0.0577 0.030 Uiso 1 1 calc R . .
C14 C 0.3438(2) 0.4926(4) 0.0761(3) 0.0244(12) Uani 1 1 d . . .
H14 H 0.3714 0.4456 0.0676 0.029 Uiso 1 1 calc R . .
C15 C 0.3626(2) 0.5863(4) 0.0954(3) 0.0234(11) Uani 1 1 d . . .
C16 C 0.3169(2) 0.6517(4) 0.1006(2) 0.0203(11) Uani 1 1 d . . .
C17 C 0.3210(2) 0.7325(4) 0.1424(3) 0.0196(10) Uani 1 1 d . . .
C18 C 0.2665(2) 0.7594(4) 0.1595(3) 0.0211(11) Uani 1 1 d . . .
C19 C 0.2273(2) 0.6948(4) 0.1274(2) 0.0171(10) Uani 1 1 d . . .
C20 C 0.2588(2) 0.6273(4) 0.0909(3) 0.0205(11) Uani 1 1 d . . .
C21 C 0.4287(3) 0.4707(5) 0.2849(3) 0.0404(16) Uani 1 1 d . . .
H21A H 0.4232 0.5034 0.2415 0.061 Uiso 1 1 calc R . .
H21B H 0.4143 0.4056 0.2805 0.061 Uiso 1 1 calc R . .
H21C H 0.4693 0.4692 0.2985 0.061 Uiso 1 1 calc R . .
C22 C 0.4128(3) 0.6182(5) 0.3379(3) 0.0353(15) Uani 1 1 d . . .
H22A H 0.4040 0.6485 0.2936 0.042 Uiso 1 1 calc R . .
H22B H 0.4539 0.6261 0.3497 0.042 Uiso 1 1 calc R . .
C23 C 0.3789(3) 0.6636(5) 0.3903(3) 0.0381(16) Uani 1 1 d . . .
H23A H 0.3886 0.6348 0.4349 0.046 Uiso 1 1 calc R . .
H23B H 0.3874 0.7325 0.3931 0.046 Uiso 1 1 calc R . .
C24 C 0.2844(3) 0.6904(4) 0.4190(3) 0.0347(14) Uani 1 1 d . . .
H24A H 0.2901 0.7601 0.4211 0.042 Uiso 1 1 calc R . .
H24B H 0.2930 0.6637 0.4645 0.042 Uiso 1 1 calc R . .
C25 C 0.2242(3) 0.6677(4) 0.3952(3) 0.0346(14) Uani 1 1 d . . .
H25A H 0.1978 0.6900 0.4288 0.042 Uiso 1 1 calc R . .
H25B H 0.2145 0.7002 0.3519 0.042 Uiso 1 1 calc R . .
C26 C 0.1628(3) 0.5392(5) 0.3678(4) 0.0396(16) Uani 1 1 d . . .
H26A H 0.1379 0.5545 0.4041 0.059 Uiso 1 1 calc R . .
H26B H 0.1618 0.4706 0.3594 0.059 Uiso 1 1 calc R . .
H26C H 0.1496 0.5730 0.3267 0.059 Uiso 1 1 calc R . .
C27 C 0.0192(3) 0.5328(5) -0.1660(3) 0.0359(15) Uani 1 1 d . . .
H27A H -0.0144 0.5017 -0.1874 0.054 Uiso 1 1 calc R . .
H27B H 0.0524 0.4917 -0.1697 0.054 Uiso 1 1 calc R . .
H27C H 0.0257 0.5934 -0.1886 0.054 Uiso 1 1 calc R . .
C28 C -0.0375(2) 0.6104(4) -0.0911(3) 0.0256(12) Uani 1 1 d . . .
H28A H -0.0707 0.5836 -0.1171 0.031 Uiso 1 1 calc R . .
H28B H -0.0292 0.6736 -0.1101 0.031 Uiso 1 1 calc R . .
C29 C -0.0506(2) 0.6208(5) -0.0195(3) 0.0290(13) Uani 1 1 d . . .
H29A H -0.0879 0.6522 -0.0166 0.035 Uiso 1 1 calc R . .
H29B H -0.0527 0.5572 0.0016 0.035 Uiso 1 1 calc R . .
C30 C -0.0254(3) 0.7162(5) 0.0756(3) 0.0344(14) Uani 1 1 d . . .
H30A H -0.0404 0.6663 0.1048 0.041 Uiso 1 1 calc R . .
H30B H -0.0559 0.7632 0.0653 0.041 Uiso 1 1 calc R . .
C31 C 0.0252(3) 0.7646(5) 0.1114(3) 0.0340(14) Uani 1 1 d . . .
H31A H 0.0118 0.8014 0.1498 0.041 Uiso 1 1 calc R . .
H31B H 0.0515 0.7151 0.1300 0.041 Uiso 1 1 calc R . .
C32 C 0.0222(3) 0.9029(5) 0.0417(3) 0.0343(14) Uani 1 1 d . . .
H32A H -0.0077 0.8774 0.0106 0.051 Uiso 1 1 calc R . .
H32B H 0.0465 0.9457 0.0173 0.051 Uiso 1 1 calc R . .
H32C H 0.0049 0.9379 0.0779 0.051 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 O2 3.072(4) . ?
Cs1 C20 3.116(5) . ?
Cs1 C19 3.144(5) . ?
Cs1 C16 3.234(5) . ?
Cs1 C18 3.274(5) . ?
Cs1 C12 3.275(5) . ?
Cs1 C17 3.328(5) . ?
Cs1 O3 3.335(4) . ?
Cs1 C9 3.358(5) . ?
Cs1 O1 3.363(4) . ?
Cs2 O1 3.122(4) . ?
Cs2 O3 3.158(4) . ?
Cs2 C18 3.275(5) 4_545 ?
Cs2 O6 3.316(4) 4_545 ?
Cs2 C14 3.342(6) 6_566 ?
Cs2 C19 3.378(5) 4_545 ?
Cs2 O2 3.466(4) . ?
Cs3 O5 3.069(4) . ?
Cs3 O6 3.196(4) . ?
Cs3 C17 3.231(5) 7_565 ?
Cs3 C10 3.314(6) . ?
Cs3 O4 3.368(4) . ?
O1 C22 1.419(8) . ?
O1 C21 1.429(8) . ?
O2 C23 1.418(7) . ?
O2 C24 1.422(7) . ?
O3 C26 1.420(7) . ?
O3 C25 1.425(7) . ?
O4 C27 1.422(7) . ?
O4 C28 1.423(7) . ?
O5 C30 1.407(7) . ?
O5 C29 1.418(7) . ?
O6 C31 1.420(7) . ?
O6 Cs2 3.316(4) 4 ?
C1 C2 1.430(8) . ?
C1 C15 1.435(8) . ?
C1 H1 0.9500 . ?
C2 C3 1.421(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.428(8) . ?
C3 C17 1.443(7) . ?
C4 C5 1.418(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.438(7) . ?
C5 H5 0.9500 . ?
C6 C18 1.424(8) . ?
C6 C7 1.427(7) . ?
C7 C8 1.438(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.422(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.437(8) . ?
C9 C19 1.439(7) . ?
C10 C11 1.429(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.434(8) . ?
C11 H11 0.9500 . ?
C12 C20 1.418(8) . ?
C12 C13 1.426(8) . ?
C13 C14 1.433(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.435(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.427(8) . ?
C16 C17 1.409(7) . ?
C16 C20 1.416(7) . ?
C17 C18 1.401(7) . ?
C18 C19 1.421(7) . ?
C19 C20 1.429(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.494(10) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.506(9) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.481(8) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.516(8) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 O6 1.430(7) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 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
O6 C32 H32A 109.5 . . ?
O6 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O6 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O2 Cs1 C20 134.28(13) . . ?
O2 Cs1 C19 115.58(12) . . ?
C20 Cs1 C19 26.39(13) . . ?
O2 Cs1 C16 117.45(12) . . ?
C20 Cs1 C16 25.67(13) . . ?
C19 Cs1 C16 42.06(13) . . ?
O2 Cs1 C18 93.10(12) . . ?
C20 Cs1 C18 42.23(14) . . ?
C19 Cs1 C18 25.48(13) . . ?
C16 Cs1 C18 41.18(14) . . ?
O2 Cs1 C12 159.74(13) . . ?
C20 Cs1 C12 25.49(14) . . ?
C19 Cs1 C12 45.80(14) . . ?
C16 Cs1 C12 44.98(13) . . ?
C18 Cs1 C12 66.87(14) . . ?
O2 Cs1 C17 94.74(12) . . ?
C20 Cs1 C17 41.39(13) . . ?
C19 Cs1 C17 41.06(13) . . ?
C16 Cs1 C17 24.74(13) . . ?
C18 Cs1 C17 24.49(12) . . ?
C12 Cs1 C17 65.87(13) . . ?
O2 Cs1 O3 49.38(10) . . ?
C20 Cs1 O3 140.17(12) . . ?
C19 Cs1 O3 115.19(12) . . ?
C16 Cs1 O3 151.65(12) . . ?
C18 Cs1 O3 110.56(12) . . ?
C12 Cs1 O3 138.91(12) . . ?
C17 Cs1 O3 128.74(12) . . ?
O2 Cs1 C9 114.28(12) . . ?
C20 Cs1 C9 45.71(14) . . ?
C19 Cs1 C9 25.29(13) . . ?
C16 Cs1 C9 66.62(14) . . ?
C18 Cs1 C9 44.29(13) . . ?
C12 Cs1 C9 53.53(14) . . ?
C17 Cs1 C9 65.17(13) . . ?
O3 Cs1 C9 94.61(12) . . ?
O2 Cs1 O1 49.84(11) . . ?
C20 Cs1 O1 131.20(12) . . ?
C19 Cs1 O1 140.31(12) . . ?
C16 Cs1 O1 106.00(12) . . ?
C18 Cs1 O1 116.75(12) . . ?
C12 Cs1 O1 135.69(13) . . ?
C17 Cs1 O1 99.53(11) . . ?
O3 Cs1 O1 83.73(10) . . ?
C9 Cs1 O1 158.84(12) . . ?
O2 Cs1 C5 117.80(12) . 4_545 ?
C20 Cs1 C5 104.82(13) . 4_545 ?
C19 Cs1 C5 110.42(13) . 4_545 ?
C16 Cs1 C5 124.75(13) . 4_545 ?
C18 Cs1 C5 135.05(13) . 4_545 ?
C12 Cs1 C5 80.71(13) . 4_545 ?
C17 Cs1 C5 146.21(13) . 4_545 ?
O3 Cs1 C5 74.38(12) . 4_545 ?
C9 Cs1 C5 91.52(13) . 4_545 ?
O1 Cs1 C5 108.18(11) . 4_545 ?
O2 Cs1 C11 155.61(12) . . ?
C20 Cs1 C11 41.35(13) . . ?
C19 Cs1 C11 48.65(13) . . ?
C16 Cs1 C11 65.73(13) . . ?
C18 Cs1 C11 73.96(13) . . ?
C12 Cs1 C11 23.77(13) . . ?
C17 Cs1 C11 82.00(13) . . ?
O3 Cs1 C11 115.29(12) . . ?
C9 Cs1 C11 42.61(14) . . ?
O1 Cs1 C11 154.55(13) . . ?
C5 Cs1 C11 64.66(12) 4_545 . ?
O1 Cs2 O3 90.79(11) . . ?
O1 Cs2 C18 113.89(13) . 4_545 ?
O3 Cs2 C18 87.50(12) . 4_545 ?
O1 Cs2 O6 64.89(11) . 4_545 ?
O3 Cs2 O6 155.17(11) . 4_545 ?
C18 Cs2 O6 106.29(11) 4_545 4_545 ?
O1 Cs2 C14 102.60(13) . 6_566 ?
O3 Cs2 C14 93.01(12) . 6_566 ?
C18 Cs2 C14 143.49(14) 4_545 6_566 ?
O6 Cs2 C14 87.89(12) 4_545 6_566 ?
O1 Cs2 C19 116.75(12) . 4_545 ?
O3 Cs2 C19 111.53(11) . 4_545 ?
C18 Cs2 C19 24.60(12) 4_545 4_545 ?
O6 Cs2 C19 85.44(11) 4_545 4_545 ?
C14 Cs2 C19 132.19(13) 6_566 4_545 ?
O1 Cs2 C13 114.30(13) . 6_566 ?
O3 Cs2 C13 72.13(12) . 6_566 ?
C18 Cs2 C13 127.42(14) 4_545 6_566 ?
O6 Cs2 C13 112.11(12) 4_545 6_566 ?
C14 Cs2 C13 24.34(13) 6_566 6_566 ?
C19 Cs2 C13 128.69(13) 4_545 6_566 ?
O1 Cs2 O2 48.52(11) . . ?
O3 Cs2 O2 47.59(10) . . ?
C18 Cs2 O2 121.49(12) 4_545 . ?
O6 Cs2 O2 108.09(10) 4_545 . ?
C14 Cs2 O2 83.33(12) 6_566 . ?
C19 Cs2 O2 143.31(11) 4_545 . ?
C13 Cs2 O2 78.63(12) 6_566 . ?
O1 Cs2 C6 91.57(12) . 4_545 ?
O3 Cs2 C6 78.58(12) . 4_545 ?
C18 Cs2 C6 23.98(13) 4_545 4_545 ?
O6 Cs2 C6 105.64(11) 4_545 4_545 ?
C14 Cs2 C6 163.69(13) 6_566 4_545 ?
C19 Cs2 C6 42.82(12) 4_545 4_545 ?
C13 Cs2 C6 140.54(13) 6_566 4_545 ?
O2 Cs2 C6 100.56(11) . 4_545 ?
O1 Cs2 C15 111.33(12) . 6_566 ?
O3 Cs2 C15 114.25(12) . 6_566 ?
C18 Cs2 C15 129.05(13) 4_545 6_566 ?
O6 Cs2 C15 73.25(12) 4_545 6_566 ?
C14 Cs2 C15 23.84(13) 6_566 6_566 ?
C19 Cs2 C15 110.95(13) 4_545 6_566 ?
C13 Cs2 C15 42.14(13) 6_566 6_566 ?
O2 Cs2 C15 105.64(11) . 6_566 ?
C6 Cs2 C15 152.76(13) 4_545 6_566 ?
O1 Cs2 C7 73.88(12) . 4_545 ?
O3 Cs2 C7 94.04(12) . 4_545 ?
C18 Cs2 C7 40.50(13) 4_545 4_545 ?
O6 Cs2 C7 84.26(12) 4_545 4_545 ?
C14 Cs2 C7 172.15(13) 6_566 4_545 ?
C19 Cs2 C7 47.36(12) 4_545 4_545 ?
C13 Cs2 C7 163.47(13) 6_566 4_545 ?
O2 Cs2 C7 98.94(11) . 4_545 ?
C6 Cs2 C7 23.32(12) 4_545 4_545 ?
C15 Cs2 C7 150.72(13) 6_566 4_545 ?
O1 Cs2 C16 133.76(12) . 6_566 ?
O3 Cs2 C16 111.83(11) . 6_566 ?
C18 Cs2 C16 107.13(13) 4_545 6_566 ?
O6 Cs2 C16 84.25(11) 4_545 6_566 ?
C14 Cs2 C16 39.68(13) 6_566 6_566 ?
C19 Cs2 C16 92.52(12) 4_545 6_566 ?
C13 Cs2 C16 45.79(12) 6_566 6_566 ?
O2 Cs2 C16 122.06(11) . 6_566 ?
C6 Cs2 C16 131.11(13) 4_545 6_566 ?
C15 Cs2 C16 22.87(12) 6_566 6_566 ?
C7 Cs2 C16 138.98(12) 4_545 6_566 ?
O5 Cs3 O6 52.67(11) . . ?
O5 Cs3 C17 129.82(12) . 7_565 ?
O6 Cs3 C17 112.01(12) . 7_565 ?
O5 Cs3 C10 89.66(13) . . ?
O6 Cs3 C10 81.56(13) . . ?
C17 Cs3 C10 139.12(14) 7_565 . ?
O5 Cs3 O4 53.34(11) . . ?
O6 Cs3 O4 104.37(10) . . ?
C17 Cs3 O4 102.46(12) 7_565 . ?
C10 Cs3 O4 111.39(12) . . ?
O5 Cs3 C3 108.96(12) . 7_565 ?
O6 Cs3 C3 112.96(12) . 7_565 ?
C17 Cs3 C3 25.06(12) 7_565 7_565 ?
C10 Cs3 C3 160.86(14) . 7_565 ?
O4 Cs3 C3 78.11(12) . 7_565 ?
O5 Cs3 C16 124.36(12) . 7_565 ?
O6 Cs3 C16 90.13(12) . 7_565 ?
C17 Cs3 C16 24.36(13) 7_565 7_565 ?
C10 Cs3 C16 128.39(13) . 7_565 ?
O4 Cs3 C16 119.99(11) . 7_565 ?
C3 Cs3 C16 43.52(13) 7_565 7_565 ?
O5 Cs3 C11 105.44(12) . . ?
O6 Cs3 C11 105.69(12) . . ?
C17 Cs3 C11 124.37(13) 7_565 . ?
C10 Cs3 C11 24.19(13) . . ?
O4 Cs3 C11 106.07(12) . . ?
C3 Cs3 C11 138.79(13) 7_565 . ?
C16 Cs3 C11 125.61(13) 7_565 . ?
O5 Cs3 C2 88.39(12) . 7_565 ?
O6 Cs3 C2 91.06(12) . 7_565 ?
C17 Cs3 C2 41.58(13) 7_565 7_565 ?
C10 Cs3 C2 171.94(14) . 7_565 ?
O4 Cs3 C2 73.47(11) . 7_565 ?
C3 Cs3 C2 23.87(12) 7_565 7_565 ?
C16 Cs3 C2 47.91(12) 7_565 7_565 ?
C11 Cs3 C2 162.58(14) . 7_565 ?
O5 Cs3 C9 95.68(12) . . ?
O6 Cs3 C9 68.11(11) . . ?
C17 Cs3 C9 124.55(13) 7_565 . ?
C10 Cs3 C9 23.52(13) . . ?
O4 Cs3 C9 132.18(11) . . ?
C3 Cs3 C9 149.48(13) 7_565 . ?
C16 Cs3 C9 107.45(12) 7_565 . ?
C11 Cs3 C9 41.71(13) . . ?
C2 Cs3 C9 149.21(13) 7_565 . ?
O5 Cs3 C1 86.28(12) . 7_565 ?
O6 Cs3 C1 71.64(12) . 7_565 ?
C17 Cs3 C1 46.93(13) 7_565 7_565 ?
C10 Cs3 C1 149.05(13) . 7_565 ?
O4 Cs3 C1 90.49(11) . 7_565 ?
C3 Cs3 C1 41.40(13) 7_565 7_565 ?
C16 Cs3 C1 39.43(13) 7_565 7_565 ?
C11 Cs3 C1 163.26(12) . 7_565 ?
C2 Cs3 C1 22.96(13) 7_565 7_565 ?
C9 Cs3 C1 126.68(12) . 7_565 ?
O5 Cs3 C31 39.72(12) . . ?
O6 Cs3 C31 22.25(12) . . ?
C17 Cs3 C31 133.87(14) 7_565 . ?
C10 Cs3 C31 67.80(14) . . ?
O4 Cs3 C31 92.74(12) . . ?
C3 Cs3 C31 129.81(14) 7_565 . ?
C16 Cs3 C31 112.37(14) 7_565 . ?
C11 Cs3 C31 91.31(14) . . ?
C2 Cs3 C31 106.11(14) 7_565 . ?
C9 Cs3 C31 62.22(13) . . ?
C1 Cs3 C31 90.35(14) 7_565 . ?
C22 O1 C21 112.5(5) . . ?
C22 O1 Cs2 126.3(4) . . ?
C21 O1 Cs2 121.2(4) . . ?
C22 O1 Cs1 93.9(3) . . ?
C21 O1 Cs1 96.6(3) . . ?
Cs2 O1 Cs1 80.99(9) . . ?
C23 O2 C24 112.6(5) . . ?
C23 O2 Cs1 122.9(4) . . ?
C24 O2 Cs1 124.3(3) . . ?
C23 O2 Cs2 96.8(3) . . ?
C24 O2 Cs2 98.9(3) . . ?
Cs1 O2 Cs2 80.05(9) . . ?
C26 O3 C25 112.3(5) . . ?
C26 O3 Cs2 120.7(4) . . ?
C25 O3 Cs2 126.5(4) . . ?
C26 O3 Cs1 100.7(3) . . ?
C25 O3 Cs1 96.7(3) . . ?
Cs2 O3 Cs1 80.91(9) . . ?
C27 O4 C28 109.9(4) . . ?
C27 O4 Cs3 112.7(3) . . ?
C28 O4 Cs3 103.4(3) . . ?
C30 O5 C29 113.7(4) . . ?
C30 O5 Cs3 121.6(3) . . ?
C29 O5 Cs3 123.3(3) . . ?
C31 O6 C32 113.8(5) . . ?
C31 O6 Cs3 99.3(3) . . ?
C32 O6 Cs3 123.7(4) . . ?
C31 O6 Cs2 134.8(3) . 4 ?
C32 O6 Cs2 102.9(3) . 4 ?
Cs3 O6 Cs2 79.87(9) . 4 ?
C2 C1 C15 123.0(5) . . ?
C2 C1 Cs3 71.5(3) . 7_565 ?
C15 C1 Cs3 83.7(3) . 7_565 ?
C2 C1 H1 118.5 . . ?
C15 C1 H1 118.5 . . ?
Cs3 C1 H1 116.6 7_565 . ?
C3 C2 C1 122.6(5) . . ?
C3 C2 Cs3 74.4(3) . 7_565 ?
C1 C2 Cs3 85.6(3) . 7_565 ?
C3 C2 H2 118.7 . . ?
C1 C2 H2 118.7 . . ?
Cs3 C2 H2 111.1 7_565 . ?
C2 C3 C4 132.8(5) . . ?
C2 C3 C17 113.2(5) . . ?
C4 C3 C17 112.4(5) . . ?
C2 C3 Cs3 81.7(3) . 7_565 ?
C4 C3 Cs3 124.2(4) . 7_565 ?
C17 C3 Cs3 71.5(3) . 7_565 ?
C2 C3 Cs1 97.3(3) . . ?
C4 C3 Cs1 96.5(3) . . ?
C17 C3 Cs1 58.3(3) . . ?
Cs3 C3 Cs1 124.90(15) 7_565 . ?
C5 C4 C3 123.9(5) . . ?
C5 C4 H4 118.1 . . ?
C3 C4 H4 118.1 . . ?
C4 C5 C6 122.4(5) . . ?
C4 C5 Cs1 138.4(4) . 4 ?
C6 C5 Cs1 82.2(3) . 4 ?
C4 C5 H5 118.8 . . ?
C6 C5 H5 118.8 . . ?
Cs1 C5 H5 50.5 4 . ?
C18 C6 C7 113.2(5) . . ?
C18 C6 C5 113.3(5) . . ?
C7 C6 C5 132.6(5) . . ?
C18 C6 Cs2 69.2(3) . 4 ?
C7 C6 Cs2 80.8(3) . 4 ?
C5 C6 Cs2 124.7(4) . 4 ?
C18 C6 Cs1 137.2(4) . 4 ?
C7 C6 Cs1 77.7(3) . 4 ?
C5 C6 Cs1 74.7(3) . 4 ?
Cs2 C6 Cs1 72.39(10) 4 4 ?
C18 C6 Cs1 63.1(3) . . ?
C7 C6 Cs1 91.6(3) . . ?
C5 C6 Cs1 101.2(3) . . ?
Cs2 C6 Cs1 123.63(15) 4 . ?
Cs1 C6 Cs1 159.49(17) 4 . ?
C6 C7 C8 122.5(5) . . ?
C6 C7 Cs2 75.9(3) . 4 ?
C8 C7 Cs2 84.3(3) . 4 ?
C6 C7 Cs1 79.6(3) . 4 ?
C8 C7 Cs1 142.9(4) . 4 ?
Cs2 C7 Cs1 71.99(10) 4 4 ?
C6 C7 H7 118.8 . . ?
C8 C7 H7 118.8 . . ?
Cs2 C7 H7 110.8 4 . ?
Cs1 C7 H7 50.2 4 . ?
C9 C8 C7 123.1(5) . . ?
C9 C8 Cs2 80.4(3) . 4 ?
C7 C8 Cs2 73.0(3) . 4 ?
C9 C8 Cs1 61.1(3) . . ?
C7 C8 Cs1 85.8(3) . . ?
Cs2 C8 Cs1 114.36(13) 4 . ?
C9 C8 H8 118.4 . . ?
C7 C8 H8 118.4 . . ?
Cs2 C8 H8 118.9 4 . ?
Cs1 C8 H8 125.8 . . ?
C8 C9 C10 131.5(5) . . ?
C8 C9 C19 113.6(5) . . ?
C10 C9 C19 113.0(5) . . ?
C8 C9 Cs1 97.2(3) . . ?
C10 C9 Cs1 87.1(3) . . ?
C19 C9 Cs1 69.0(3) . . ?
C8 C9 Cs3 128.8(3) . . ?
C10 C9 Cs3 67.0(3) . . ?
C19 C9 Cs3 86.2(3) . . ?
Cs1 C9 Cs3 133.79(17) . . ?
C8 C9 Cs2 77.6(3) . 4 ?
C10 C9 Cs2 136.4(4) . 4 ?
C19 C9 Cs2 64.4(3) . 4 ?
Cs1 C9 Cs2 125.48(16) . 4 ?
Cs3 C9 Cs2 69.43(9) . 4 ?
C11 C10 C9 123.1(5) . . ?
C11 C10 Cs3 83.9(3) . . ?
C9 C10 Cs3 89.5(3) . . ?
C11 C10 Cs1 77.4(3) . . ?
C9 C10 Cs1 69.3(3) . . ?
Cs3 C10 Cs1 136.13(18) . . ?
C11 C10 H10 118.5 . . ?
C9 C10 H10 118.5 . . ?
Cs3 C10 H10 96.9 . . ?
Cs1 C10 H10 126.9 . . ?
C10 C11 C12 122.7(5) . . ?
C10 C11 Cs3 71.9(3) . . ?
C12 C11 Cs3 96.7(3) . . ?
C10 C11 Cs1 79.6(3) . . ?
C12 C11 Cs1 67.0(3) . . ?
Cs3 C11 Cs1 131.33(17) . . ?
C10 C11 H11 118.6 . . ?
C12 C11 H11 118.6 . . ?
Cs3 C11 H11 101.8 . . ?
Cs1 C11 H11 126.6 . . ?
C20 C12 C13 113.3(5) . . ?
C20 C12 C11 114.0(5) . . ?
C13 C12 C11 129.9(5) . . ?
C20 C12 Cs1 71.0(3) . . ?
C13 C12 Cs1 91.3(3) . . ?
C11 C12 Cs1 89.2(3) . . ?
C20 C12 Cs2 78.3(3) . 6_565 ?
C13 C12 Cs2 68.2(3) . 6_565 ?
C11 C12 Cs2 137.5(3) . 6_565 ?
Cs1 C12 Cs2 132.06(17) . 6_565 ?
C20 C12 Cs3 80.4(3) . . ?
C13 C12 Cs3 142.6(3) . . ?
C11 C12 Cs3 61.9(3) . . ?
Cs1 C12 Cs3 125.95(17) . . ?
Cs2 C12 Cs3 82.02(10) 6_565 . ?
C12 C13 C14 123.7(5) . . ?
C12 C13 Cs2 89.2(3) . 6_565 ?
C14 C13 Cs2 73.9(3) . 6_565 ?
C12 C13 Cs1 65.4(3) . . ?
C14 C13 Cs1 85.3(3) . . ?
Cs2 C13 Cs1 129.97(17) 6_565 . ?
C12 C13 H13 118.1 . . ?
C14 C13 H13 118.1 . . ?
Cs2 C13 H13 108.0 6_565 . ?
Cs1 C13 H13 121.9 . . ?
C13 C14 C15 122.3(5) . . ?
C13 C14 Cs2 81.7(3) . 6_565 ?
C15 C14 Cs2 85.9(3) . 6_565 ?
C13 C14 Cs1 72.4(3) . . ?
C15 C14 Cs1 71.9(3) . . ?
Cs2 C14 Cs1 127.73(17) 6_565 . ?
C13 C14 H14 118.9 . . ?
C15 C14 H14 118.9 . . ?
Cs2 C14 H14 102.8 6_565 . ?
Cs1 C14 H14 129.4 . . ?
C16 C15 C14 112.9(5) . . ?
C16 C15 C1 113.3(5) . . ?
C14 C15 C1 132.1(5) . . ?
C16 C15 Cs2 82.4(3) . 6_565 ?
C14 C15 Cs2 70.2(3) . 6_565 ?
C1 C15 Cs2 127.9(4) . 6_565 ?
C16 C15 Cs1 64.2(3) . . ?
C14 C15 Cs1 85.7(3) . . ?
C1 C15 Cs1 103.4(3) . . ?
Cs2 C15 Cs1 127.04(16) 6_565 . ?
C16 C15 Cs3 63.9(3) . 7_565 ?
C14 C15 Cs3 139.7(4) . 7_565 ?
C1 C15 Cs3 74.1(3) . 7_565 ?
Cs2 C15 Cs3 69.62(10) 6_565 7_565 ?
Cs1 C15 Cs3 121.24(15) . 7_565 ?
C17 C16 C20 108.1(5) . . ?
C17 C16 C15 122.5(5) . . ?
C20 C16 C15 124.3(5) . . ?
C17 C16 Cs1 81.4(3) . . ?
C20 C16 Cs1 72.5(3) . . ?
C15 C16 Cs1 92.3(3) . . ?
C17 C16 Cs3 71.1(3) . 7_565 ?
C20 C16 Cs3 125.2(3) . 7_565 ?
C15 C16 Cs3 93.9(3) . 7_565 ?
Cs1 C16 Cs3 150.68(18) . 7_565 ?
C17 C16 Cs2 140.8(3) . 6_565 ?
C20 C16 Cs2 80.9(3) . 6_565 ?
C15 C16 Cs2 74.8(3) . 6_565 ?
Cs1 C16 Cs2 136.34(17) . 6_565 ?
Cs3 C16 Cs2 72.81(9) 7_565 6_565 ?
C18 C17 C16 109.1(5) . . ?
C18 C17 C3 123.7(5) . . ?
C16 C17 C3 123.7(5) . . ?
C18 C17 Cs3 122.2(3) . 7_565 ?
C16 C17 Cs3 84.5(3) . 7_565 ?
C3 C17 Cs3 83.4(3) . 7_565 ?
C18 C17 Cs1 75.6(3) . . ?
C16 C17 Cs1 73.9(3) . . ?
C3 C17 Cs1 100.0(3) . . ?
Cs3 C17 Cs1 156.13(18) 7_565 . ?
C17 C18 C19 107.5(5) . . ?
C17 C18 C6 123.4(5) . . ?
C19 C18 C6 124.1(5) . . ?
C17 C18 Cs1 79.9(3) . . ?
C19 C18 Cs1 72.1(3) . . ?
C6 C18 Cs1 94.1(3) . . ?
C17 C18 Cs2 124.8(3) . 4 ?
C19 C18 Cs2 81.8(3) . 4 ?
C6 C18 Cs2 86.8(3) . 4 ?
Cs1 C18 Cs2 149.05(18) . 4 ?
C18 C19 C20 108.1(4) . . ?
C18 C19 C9 122.0(5) . . ?
C20 C19 C9 123.3(5) . . ?
C18 C19 Cs1 82.4(3) . . ?
C20 C19 Cs1 75.7(3) . . ?
C9 C19 Cs1 85.7(3) . . ?
C18 C19 Cs2 73.6(3) . 4 ?
C20 C19 Cs2 127.3(3) . 4 ?
C9 C19 Cs2 93.0(3) . 4 ?
Cs1 C19 Cs2 150.80(17) . 4 ?
C18 C19 Cs3 142.9(3) . . ?
C20 C19 Cs3 84.7(3) . . ?
C9 C19 Cs3 71.6(3) . . ?
Cs1 C19 Cs3 134.70(16) . . ?
Cs2 C19 Cs3 71.15(9) 4 . ?
C16 C20 C12 123.0(5) . . ?
C16 C20 C19 107.2(5) . . ?
C12 C20 C19 122.8(5) . . ?
C16 C20 Cs1 81.8(3) . . ?
C12 C20 Cs1 83.6(3) . . ?
C19 C20 Cs1 77.9(3) . . ?
C16 C20 Cs2 76.9(3) . 6_565 ?
C12 C20 Cs2 79.6(3) . 6_565 ?
C19 C20 Cs2 141.7(3) . 6_565 ?
Cs1 C20 Cs2 139.24(17) . 6_565 ?
O1 C21 H21A 109.5 . . ?
O1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O1 C22 C23 108.4(5) . . ?
O1 C22 Cs1 63.8(3) . . ?
C23 C22 Cs1 89.8(4) . . ?
O1 C22 H22A 110.0 . . ?
C23 C22 H22A 110.0 . . ?
Cs1 C22 H22A 60.3 . . ?
O1 C22 H22B 110.0 . . ?
C23 C22 H22B 110.0 . . ?
Cs1 C22 H22B 160.0 . . ?
H22A C22 H22B 108.4 . . ?
O2 C23 C22 108.1(5) . . ?
O2 C23 Cs2 62.0(3) . . ?
C22 C23 Cs2 88.0(4) . . ?
O2 C23 H23A 110.1 . . ?
C22 C23 H23A 110.1 . . ?
Cs2 C23 H23A 63.4 . . ?
O2 C23 H23B 110.1 . . ?
C22 C23 H23B 110.1 . . ?
Cs2 C23 H23B 162.0 . . ?
H23A C23 H23B 108.4 . . ?
O2 C24 C25 107.4(5) . . ?
O2 C24 H24A 110.2 . . ?
C25 C24 H24A 110.2 . . ?
O2 C24 H24B 110.2 . . ?
C25 C24 H24B 110.2 . . ?
H24A C24 H24B 108.5 . . ?
O3 C25 C24 108.5(5) . . ?
O3 C25 Cs1 61.3(3) . . ?
C24 C25 Cs1 89.3(4) . . ?
O3 C25 H25A 110.0 . . ?
C24 C25 H25A 110.0 . . ?
Cs1 C25 H25A 160.7 . . ?
O3 C25 H25B 110.0 . . ?
C24 C25 H25B 110.0 . . ?
Cs1 C25 H25B 63.2 . . ?
H25A C25 H25B 108.4 . . ?
O3 C26 H26A 109.5 . . ?
O3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O4 C27 H27A 109.5 . . ?
O4 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
O4 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O4 C28 C29 110.3(5) . . ?
O4 C28 H28A 109.6 . . ?
C29 C28 H28A 109.6 . . ?
O4 C28 H28B 109.6 . . ?
C29 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
O5 C29 C28 110.0(5) . . ?
O5 C29 H29A 109.7 . . ?
C28 C29 H29A 109.7 . . ?
O5 C29 H29B 109.7 . . ?
C28 C29 H29B 109.7 . . ?
H29A C29 H29B 108.2 . . ?
O5 C30 C31 108.7(5) . . ?
O5 C30 H30A 110.0 . . ?
C31 C30 H30A 110.0 . . ?
O5 C30 H30B 110.0 . . ?
C31 C30 H30B 110.0 . . ?
H30A C30 H30B 108.3 . . ?
O6 C31 C30 114.4(5) . . ?
O6 C31 Cs3 58.4(3) . . ?
C30 C31 Cs3 89.6(4) . . ?
O6 C31 H31A 108.7 . . ?
C30 C31 H31A 108.7 . . ?
Cs3 C31 H31A 161.4 . . ?
O6 C31 H31B 108.7 . . ?
C30 C31 H31B 108.7 . . ?
Cs3 C31 H31B 68.3 . . ?
H31A C31 H31B 107.6 . . ?

_diffrn_measured_fraction_theta_max 0.940
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.834
_refine_diff_density_min         -1.062
_refine_diff_density_rms         0.181
#---END
