#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:39:18 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179071 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/33/4303337.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4303337
loop_
_publ_author_name
'David V. Partyka'
'Nihal Deligonul'
_publ_section_title
;
Phosphine- and Carbene-Ligated Silver Acetate: Easily-Accessed Synthons for
Reactions with Silylated Nucleophiles
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9463
_journal_page_last               9475
_journal_paper_doi               10.1021/ic901371g
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C33 H41 Ag N2 S'
_chemical_formula_sum            'C33 H41 Ag N2 S'
_chemical_formula_weight         605.61
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.832(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.321(4)
_cell_length_b                   14.465(4)
_cell_length_c                   20.057(4)
_cell_measurement_reflns_used    9903
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.59
_cell_measurement_theta_min      2.58
_cell_volume                     6095(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker AXS APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0561
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            34520
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.753
_exptl_absorpt_correction_T_max  0.8561
_exptl_absorpt_correction_T_min  0.7807
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'AXScale in APEX 2 (Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.842
_refine_diff_density_min         -1.213
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.245
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         7000
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.245
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0272P)²+34.5731P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1136
_refine_ls_wR_factor_ref         0.1193
_reflns_number_gt                6285
_reflns_number_total             7000
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901371g_si_001_08.cif
_cod_data_source_block           nd0524b09_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4303337
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'
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
Ag1 Ag 0.206824(12) 0.015114(18) 0.239045(12) 0.02181(9) Uani 1 1 d . . .
S1 S 0.23766(5) -0.00488(7) 0.35621(4) 0.0287(2) Uani 1 1 d . . .
C5 C 0.04332(19) 0.1423(3) 0.12837(19) 0.0279(8) Uani 1 1 d . . .
C13 C 0.0828(2) 0.2269(3) 0.1162(2) 0.0378(9) Uani 1 1 d . . .
H13 H 0.1089 0.2090 0.0813 0.045 Uiso 1 1 calc R . .
C6 C -0.0150(2) 0.1506(3) 0.1513(2) 0.0359(9) Uani 1 1 d . . .
H6 H -0.0308 0.2103 0.1589 0.043 Uiso 1 1 calc R . .
C15 C 0.0431(3) 0.3106(3) 0.0886(2) 0.0429(11) Uani 1 1 d . . .
H15A H 0.0113 0.2918 0.0497 0.064 Uiso 1 1 calc R . .
H15B H 0.0709 0.3579 0.0743 0.064 Uiso 1 1 calc R . .
H15C H 0.0215 0.3359 0.1239 0.064 Uiso 1 1 calc R . .
C14 C 0.1288(3) 0.2527(4) 0.1794(3) 0.0664(17) Uani 1 1 d . . .
H14A H 0.1049 0.2701 0.2151 0.100 Uiso 1 1 calc R . .
H14B H 0.1550 0.3051 0.1696 0.100 Uiso 1 1 calc R . .
H14C H 0.1563 0.1998 0.1944 0.100 Uiso 1 1 calc R . .
C4 C 0.06461(18) 0.0520(2) 0.11893(16) 0.0233(7) Uani 1 1 d . . .
C9 C 0.03081(19) -0.0275(3) 0.13196(18) 0.0290(8) Uani 1 1 d . . .
N2 N 0.22099(14) 0.00937(19) 0.08898(14) 0.0206(6) Uani 1 1 d . . .
N1 N 0.12373(15) 0.03942(19) 0.09393(14) 0.0218(6) Uani 1 1 d . . .
C1 C 0.18007(17) 0.0246(2) 0.13322(16) 0.0210(6) Uani 1 1 d . . .
C3 C 0.18928(19) 0.0144(2) 0.02204(17) 0.0261(7) Uani 1 1 d . . .
H3 H 0.2073 0.0067 -0.0178 0.031 Uiso 1 1 calc R . .
C2 C 0.12788(19) 0.0323(2) 0.02552(17) 0.0260(7) Uani 1 1 d . . .
H2 H 0.0939 0.0388 -0.0116 0.031 Uiso 1 1 calc R . .
C17 C 0.31066(18) -0.0978(2) 0.12176(17) 0.0247(7) Uani 1 1 d . . .
C16 C 0.28851(18) -0.0059(2) 0.11095(16) 0.0228(7) Uani 1 1 d . . .
C21 C 0.32890(18) 0.0714(2) 0.12236(17) 0.0249(7) Uani 1 1 d . . .
C18 C 0.37484(19) -0.1088(3) 0.14765(19) 0.0294(8) Uani 1 1 d . . .
H18 H 0.3913 -0.1695 0.1564 0.035 Uiso 1 1 calc R . .
C25 C 0.26673(19) -0.1809(2) 0.10555(19) 0.0273(7) Uani 1 1 d . . .
H25 H 0.2298 -0.1612 0.0708 0.033 Uiso 1 1 calc R . .
C20 C 0.3931(2) 0.0555(3) 0.14774(19) 0.0304(8) Uani 1 1 d . . .
H20 H 0.4216 0.1063 0.1559 0.037 Uiso 1 1 calc R . .
C26 C 0.2406(2) -0.2146(3) 0.1678(2) 0.0378(10) Uani 1 1 d . . .
H26A H 0.2760 -0.2338 0.2029 0.057 Uiso 1 1 calc R . .
H26B H 0.2121 -0.2673 0.1552 0.057 Uiso 1 1 calc R . .
H26C H 0.2170 -0.1645 0.1852 0.057 Uiso 1 1 calc R . .
C19 C 0.41570(19) -0.0336(3) 0.1611(2) 0.0322(8) Uani 1 1 d . . .
H19 H 0.4593 -0.0433 0.1796 0.039 Uiso 1 1 calc R . .
C27 C 0.3005(2) -0.2616(3) 0.0754(2) 0.0377(9) Uani 1 1 d . . .
H27A H 0.3181 -0.2394 0.0363 0.057 Uiso 1 1 calc R . .
H27B H 0.2698 -0.3111 0.0611 0.057 Uiso 1 1 calc R . .
H27C H 0.3350 -0.2853 0.1097 0.057 Uiso 1 1 calc R . .
C22 C 0.3044(2) 0.1698(2) 0.1069(2) 0.0307(8) Uani 1 1 d . . .
H22 H 0.2569 0.1671 0.0956 0.037 Uiso 1 1 calc R . .
C23 C 0.3295(3) 0.2070(4) 0.0442(3) 0.0555(14) Uani 1 1 d . . .
H23A H 0.3169 0.2718 0.0367 0.083 Uiso 1 1 calc R . .
H23B H 0.3116 0.1704 0.0043 0.083 Uiso 1 1 calc R . .
H23C H 0.3761 0.2023 0.0517 0.083 Uiso 1 1 calc R . .
C28 C 0.31927(17) 0.0244(2) 0.37487(17) 0.0226(7) Uani 1 1 d . . .
C33 C 0.34780(19) 0.0385(3) 0.44270(17) 0.0287(8) Uani 1 1 d . . .
H33 H 0.3225 0.0331 0.4772 0.034 Uiso 1 1 calc R . .
C30 C 0.4224(2) 0.0575(3) 0.34371(19) 0.0305(8) Uani 1 1 d . . .
H30 H 0.4478 0.0649 0.3095 0.037 Uiso 1 1 calc R . .
C31 C 0.4499(2) 0.0698(3) 0.4110(2) 0.0301(8) Uani 1 1 d . . .
H31 H 0.4938 0.0845 0.4232 0.036 Uiso 1 1 calc R . .
C32 C 0.4115(2) 0.0600(3) 0.46052(19) 0.0301(8) Uani 1 1 d . . .
H32 H 0.4294 0.0683 0.5069 0.036 Uiso 1 1 calc R . .
C10 C 0.0561(2) -0.1242(3) 0.1222(2) 0.0338(9) Uani 1 1 d . . .
H10 H 0.1010 -0.1167 0.1144 0.041 Uiso 1 1 calc R . .
C11 C 0.0588(3) -0.1841(4) 0.1852(3) 0.0610(16) Uani 1 1 d . . .
H11A H 0.0797 -0.1497 0.2250 0.091 Uiso 1 1 calc R . .
H11B H 0.0830 -0.2406 0.1802 0.091 Uiso 1 1 calc R . .
H11C H 0.0155 -0.2006 0.1910 0.091 Uiso 1 1 calc R . .
C12 C 0.0196(3) -0.1714(4) 0.0598(3) 0.0677(19) Uani 1 1 d . . .
H12A H -0.0241 -0.1838 0.0666 0.102 Uiso 1 1 calc R . .
H12B H 0.0405 -0.2298 0.0521 0.102 Uiso 1 1 calc R . .
H12C H 0.0187 -0.1310 0.0204 0.102 Uiso 1 1 calc R . .
C8 C -0.0276(2) -0.0145(3) 0.1538(2) 0.0375(9) Uani 1 1 d . . .
H8 H -0.0521 -0.0666 0.1624 0.045 Uiso 1 1 calc R . .
C7 C -0.0499(2) 0.0739(3) 0.1630(2) 0.0414(10) Uani 1 1 d . . .
H7 H -0.0897 0.0817 0.1775 0.050 Uiso 1 1 calc R . .
C24 C 0.3220(3) 0.2332(3) 0.1679(3) 0.0658(18) Uani 1 1 d . . .
H24A H 0.3079 0.2054 0.2073 0.099 Uiso 1 1 calc R . .
H24B H 0.3013 0.2933 0.1582 0.099 Uiso 1 1 calc R . .
H24C H 0.3683 0.2416 0.1773 0.099 Uiso 1 1 calc R . .
C29 C 0.35865(18) 0.0345(2) 0.32535(17) 0.0250(7) Uani 1 1 d . . .
H29 H 0.3412 0.0255 0.2790 0.030 Uiso 1 1 calc R . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ag1 S1 176.60(9) . . ?
C28 S1 Ag1 106.25(11) . . ?
C6 C5 C4 116.6(4) . . ?
C6 C5 C13 121.9(3) . . ?
C4 C5 C13 121.5(3) . . ?
C14 C13 C15 110.4(4) . . ?
C14 C13 C5 111.1(4) . . ?
C15 C13 C5 114.0(4) . . ?
C14 C13 H13 107.0 . . ?
C15 C13 H13 107.0 . . ?
C5 C13 H13 107.0 . . ?
C7 C6 C5 121.5(4) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C9 C4 C5 123.2(3) . . ?
C9 C4 N1 117.9(3) . . ?
C5 C4 N1 118.9(3) . . ?
C8 C9 C4 117.4(4) . . ?
C8 C9 C10 121.1(4) . . ?
C4 C9 C10 121.5(3) . . ?
C1 N2 C3 111.0(3) . . ?
C1 N2 C16 122.6(3) . . ?
C3 N2 C16 126.3(3) . . ?
C1 N1 C2 111.5(3) . . ?
C1 N1 C4 124.4(3) . . ?
C2 N1 C4 123.8(3) . . ?
N1 C1 N2 104.6(3) . . ?
N1 C1 Ag1 131.8(2) . . ?
N2 C1 Ag1 123.5(2) . . ?
C2 C3 N2 106.0(3) . . ?
C2 C3 H3 127.0 . . ?
N2 C3 H3 127.0 . . ?
C3 C2 N1 106.9(3) . . ?
C3 C2 H2 126.6 . . ?
N1 C2 H2 126.6 . . ?
C18 C17 C16 116.6(3) . . ?
C18 C17 C25 121.3(3) . . ?
C16 C17 C25 122.1(3) . . ?
C21 C16 C17 122.9(3) . . ?
C21 C16 N2 118.5(3) . . ?
C17 C16 N2 118.6(3) . . ?
C20 C21 C16 117.6(3) . . ?
C20 C21 C22 120.5(3) . . ?
C16 C21 C22 121.9(3) . . ?
C17 C18 C19 121.8(4) . . ?
C17 C18 H18 119.1 . . ?
C19 C18 H18 119.1 . . ?
C17 C25 C26 111.9(3) . . ?
C17 C25 C27 111.6(3) . . ?
C26 C25 C27 109.7(3) . . ?
C17 C25 H25 107.8 . . ?
C26 C25 H25 107.8 . . ?
C27 C25 H25 107.8 . . ?
C19 C20 C21 120.7(4) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C20 C19 C18 120.3(4) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C22 C21 111.6(4) . . ?
C24 C22 C23 111.8(4) . . ?
C21 C22 C23 109.5(3) . . ?
C24 C22 H22 107.9 . . ?
C21 C22 H22 107.9 . . ?
C23 C22 H22 107.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C33 C28 C29 117.0(3) . . ?
C33 C28 S1 119.1(3) . . ?
C29 C28 S1 123.9(3) . . ?
C32 C33 C28 121.8(3) . . ?
C32 C33 H33 119.1 . . ?
C28 C33 H33 119.1 . . ?
C29 C30 C31 121.4(3) . . ?
C29 C30 H30 119.3 . . ?
C31 C30 H30 119.3 . . ?
C30 C31 C32 118.4(4) . . ?
C30 C31 H31 120.8 . . ?
C32 C31 H31 120.8 . . ?
C33 C32 C31 120.6(4) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C12 C10 C9 112.0(4) . . ?
C12 C10 C11 111.7(4) . . ?
C9 C10 C11 112.3(4) . . ?
C12 C10 H10 106.8 . . ?
C9 C10 H10 106.8 . . ?
C11 C10 H10 106.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 C8 C9 120.5(4) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 H8 119.7 . . ?
C6 C7 C8 120.8(4) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C29 C28 120.7(3) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
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
Ag1 C1 2.106(3) . ?
Ag1 S1 2.3475(10) . ?
S1 C28 1.768(4) . ?
C5 C6 1.402(5) . ?
C5 C4 1.407(5) . ?
C5 C13 1.528(6) . ?
C13 C14 1.510(7) . ?
C13 C15 1.527(6) . ?
C13 H13 1.0000 . ?
C6 C7 1.378(6) . ?
C6 H6 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C4 C9 1.404(5) . ?
C4 N1 1.445(4) . ?
C9 C8 1.402(6) . ?
C9 C10 1.525(5) . ?
N2 C1 1.364(4) . ?
N2 C3 1.398(4) . ?
N2 C16 1.449(5) . ?
N1 C1 1.337(5) . ?
N1 C2 1.394(4) . ?
C3 C2 1.348(5) . ?
C3 H3 0.9500 . ?
C2 H2 0.9500 . ?
C17 C18 1.387(6) . ?
C17 C16 1.415(5) . ?
C17 C25 1.525(5) . ?
C16 C21 1.406(5) . ?
C21 C20 1.396(6) . ?
C21 C22 1.530(5) . ?
C18 C19 1.392(6) . ?
C18 H18 0.9500 . ?
C25 C26 1.531(5) . ?
C25 C27 1.547(5) . ?
C25 H25 1.0000 . ?
C20 C19 1.386(6) . ?
C20 H20 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C19 H19 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C22 C24 1.524(6) . ?
C22 C23 1.547(6) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C28 C33 1.407(5) . ?
C28 C29 1.413(5) . ?
C33 C32 1.379(6) . ?
C33 H33 0.9500 . ?
C30 C29 1.386(6) . ?
C30 C31 1.389(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.399(5) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C10 C12 1.519(6) . ?
C10 C11 1.525(6) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C8 C7 1.387(6) . ?
C8 H8 0.9500 . ?
C7 H7 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C29 H29 0.9500 . ?
