#\#CIF_1.1
 
#  CIF produced by WinGX routine CIF_UPDATE
#  Created on 2007-02-05 at 15:46:27
#  Using CIFtbx version 2.6.2 16 Jun 1998
 
#  Dictionary name : cif_core.dic
#  Dictionary vers : 2.3
#  Request file    : e:\xprogs\wingx\files\archive.dat
#  CIF files read  : js01pm1n struct
 
 
data_js01pm1n
 
_audit_creation_date                    2007-02-05T15:46:27-00:00
_audit_creation_method                  'WinGX routine CIF_UPDATE'
_audit_conform_dict_name                cif_core.dic
_audit_conform_dict_version             2.3
_audit_conform_dict_location            ftp://ftp.iucr.org/pub/cif_core.dic
_publ_requested_category                FM
 
#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#
 
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety                'C15 H22 O2 Sn'
_chemical_formula_sum                   'C15 H22 O2 Sn'
_chemical_formula_weight                353.02
_chemical_compound_source               'synthesis as described'
 
#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#
 
_symmetry_cell_setting                  monoclinic
_symmetry_space_group_name_H-M          'P 21/c'
_symmetry_space_group_name_Hall         '-P 2ybc'
_symmetry_Int_Tables_number             14
loop_
    _symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
 
_cell_length_a                          6.3661(10)
_cell_length_b                          11.643(2)
_cell_length_c                          19.660(2)
_cell_angle_alpha                       90
_cell_angle_beta                        92.2250(10)
_cell_angle_gamma                       90
_cell_volume                            1456.2(4)
_cell_formula_units_Z                   4
_cell_measurement_temperature           100(2)
_cell_measurement_reflns_used           9984
_cell_measurement_theta_min             2.71
_cell_measurement_theta_max             30.46
_cell_measurement_wavelength            0.71073
 
#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#
 
_exptl_crystal_description              Needle
_exptl_crystal_colour                   Colourless
_exptl_crystal_size_max                 0.72
_exptl_crystal_size_mid                 0.09
_exptl_crystal_size_min                 0.09
_exptl_crystal_density_diffrn           1.61
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    712
_exptl_special_details
;
 ?
;
 
#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#
 
_exptl_absorpt_coefficient_mu           1.747
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_process_details          'BRUKER SADABS'
_exptl_absorpt_correction_T_min         0.58
_exptl_absorpt_correction_T_max         0.86
 
#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#
 
_diffrn_ambient_temperature             100(2)
_diffrn_radiation_wavelength            0.7107
_diffrn_radiation_type                  MoK\a
_diffrn_radiation_probe                 x-ray
_diffrn_radiation_source               'fine-focus sealed tube'
_diffrn_radiation_monochromador         graphite
_diffrn_measurement_device             'four-circle diffractometer' 
_diffrn_measurement_device_type        'BRUKER APPEX-II CCD'
_diffrn_measurement_method             'omega and phi scans'
_diffrn_reflns_av_R_equivalents         0.0387
_diffrn_reflns_av_unetI/netI            0.0166
_diffrn_reflns_number                   65111
_diffrn_reflns_limit_h_min              -8
_diffrn_reflns_limit_h_max              8
_diffrn_reflns_limit_k_min              0
_diffrn_reflns_limit_k_max              16
_diffrn_reflns_limit_l_min              0
_diffrn_reflns_limit_l_max              27
_diffrn_reflns_theta_min                2.03
_diffrn_reflns_theta_max                30.03
_diffrn_reflns_theta_full               30.03
_diffrn_measured_fraction_theta_full
                                        1
_diffrn_measured_fraction_theta_max
                                        1
_reflns_number_total                    4259
_reflns_number_gt                       3921
_reflns_threshold_expression            >2sigma(I)
 
#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#
 
_computing_data_collection              'APPEX2 (BRUKER AXS, 2005)'
_computing_cell_refinement              'APPEX2 (BRUKER AXS, 2005)'
_computing_data_reduction               'APPEX2 (BRUKER AXS, 2005)'
_computing_structure_solution           'SIR-97  (Giacovazzo et all, 1999)'
_computing_structure_refinement         'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics           'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
                                   'WinGX publication routines (Farrugia, 1999)'
 
#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#
 
_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)+(0.0173P)²+0.7848P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary            direct
_atom_sites_solution_secondary          difmap
_atom_sites_solution_hydrogens          geom
_refine_ls_hydrogen_treatment           mixed
_refine_ls_extinction_method            none
_refine_ls_number_reflns                4259
_refine_ls_number_parameters            218
_refine_ls_number_restraints            0
_refine_ls_R_factor_all                 0.0215
_refine_ls_R_factor_gt                  0.0181
_refine_ls_wR_factor_ref                0.0411
_refine_ls_wR_factor_gt                 0.04
_refine_ls_goodness_of_fit_ref          1.071
_refine_ls_restrained_S_all             1.071
_refine_ls_shift/su_max                 0.002
_refine_ls_shift/su_mean                0
_refine_diff_density_max                0.412
_refine_diff_density_min                -0.366
_refine_diff_density_rms                0.07
 
#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#
 
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
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
Sn1 Sn 0.878058(15) 0.321207(8) 0.053607(5) 0.01275(3) Uani 1 1 d . . .
C2 C 1.2147(3) 0.32434(15) 0.05700(11) 0.0299(4) Uani 1 1 d . . .
H2A H 1.2658 0.3324 0.1033 0.042 Uiso 1 1 calc R . .
H2B H 1.2624 0.388 0.0307 0.042 Uiso 1 1 calc R . .
H2C H 1.2667 0.254 0.0385 0.042 Uiso 1 1 calc R . .
C3 C 0.7709(3) 0.45480(14) 0.11846(8) 0.0240(3) Uani 1 1 d . . .
H3A H 0.6238 0.4445 0.1257 0.034 Uiso 1 1 calc R . .
H3B H 0.7927 0.528 0.0974 0.034 Uiso 1 1 calc R . .
H3C H 0.848 0.4518 0.1614 0.034 Uiso 1 1 calc R . .
C4 C 0.7508(3) 0.34083(14) -0.04793(8) 0.0240(3) Uani 1 1 d . . .
H4A H 0.7507 0.2678 -0.0706 0.034 Uiso 1 1 calc R . .
H4B H 0.8351 0.3943 -0.0721 0.034 Uiso 1 1 calc R . .
H4C H 0.6094 0.3692 -0.0466 0.034 Uiso 1 1 calc R . .
C5 C 0.7871(2) 0.15553(12) 0.08935(7) 0.0117(2) Uani 1 1 d . . .
O6 O 0.59408(15) 0.10827(8) 0.06050(5) 0.01155(18) Uani 1 1 d . . .
C7 C 0.5944(2) -0.00201(12) 0.09356(7) 0.0118(2) Uani 1 1 d . . .
C8 C 0.6347(2) 0.02130(12) 0.17056(6) 0.0117(2) Uani 1 1 d . . .
C9 C 0.8190(2) 0.10560(12) 0.16057(7) 0.0121(2) Uani 1 1 d . . .
C10 C 0.8996(2) 0.17190(13) 0.22184(7) 0.0161(3) Uani 1 1 d . . .
C11 C 0.7129(2) 0.22480(14) 0.25759(7) 0.0175(3) Uani 1 1 d . . .
C12 C 0.5509(2) 0.13302(14) 0.27494(7) 0.0173(3) Uani 1 1 d . . .
C13 C 0.4600(2) 0.07470(13) 0.21063(7) 0.0144(3) Uani 1 1 d . . .
C14 C 0.7254(2) -0.09251(13) 0.19368(7) 0.0168(3) Uani 1 1 d . . .
C15 C 0.8295(2) -0.13817(14) 0.14269(8) 0.0188(3) Uani 1 1 d . . .
C16 C 0.8158(2) -0.05561(12) 0.08349(7) 0.0146(3) Uani 1 1 d . . .
C17 C 0.9376(2) 0.05443(12) 0.10270(7) 0.0137(3) Uani 1 1 d . . .
O71 O 0.41522(16) -0.06203(9) 0.07678(5) 0.0153(2) Uani 1 1 d . . .
H71 H 0.421(3) -0.0804(19) 0.0390(11) 0.030(6) Uiso 1 1 d . . .
H10A H 1.002(3) 0.2300(17) 0.2081(9) 0.022(5) Uiso 1 1 d . . .
H10B H 0.981(3) 0.1195(17) 0.2520(10) 0.022(5) Uiso 1 1 d . . .
H11A H 0.762(3) 0.2644(16) 0.2980(9) 0.018(4) Uiso 1 1 d . . .
H11B H 0.647(3) 0.2816(17) 0.2279(10) 0.023(5) Uiso 1 1 d . . .
H12A H 0.440(3) 0.1689(14) 0.3011(9) 0.011(4) Uiso 1 1 d . . .
H12B H 0.622(3) 0.0743(16) 0.3048(9) 0.022(5) Uiso 1 1 d . . .
H13A H 0.386(3) 0.1324(16) 0.1833(9) 0.017(4) Uiso 1 1 d . . .
H13B H 0.350(3) 0.0191(16) 0.2214(9) 0.016(4) Uiso 1 1 d . . .
H14 H 0.713(3) -0.1237(16) 0.2389(9) 0.022(5) Uiso 1 1 d . . .
H15 H 0.903(3) -0.2072(18) 0.1407(10) 0.026(5) Uiso 1 1 d . . .
H16 H 0.843(3) -0.0857(16) 0.0392(9) 0.017(4) Uiso 1 1 d . . .
H17 H 1.085(3) 0.0601(14) 0.0992(8) 0.012(4) Uiso 1 1 d . . .
 
 
 
#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#
 
_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
Sn1 C4 2.1373(16) . ?
Sn1 C3 2.1396(16) . ?
Sn1 C5 2.1405(14) . ?
Sn1 C2 2.1418(17) . ?
C2 H2A 0.96 . ?
C2 H2B 0.96 . ?
C2 H2C 0.96 . ?
C3 H3A 0.96 . ?
C3 H3B 0.96 . ?
C3 H3C 0.96 . ?
C4 H4A 0.96 . ?
C4 H4B 0.96 . ?
C4 H4C 0.96 . ?
C5 O6 1.4425(16) . ?
C5 C9 1.5223(18) . ?
C5 C17 1.534(2) . ?
O6 C7 1.4390(16) . ?
C7 O71 1.3674(17) . ?
C7 C8 1.5494(18) . ?
C7 C16 1.561(2) . ?
C8 C14 1.509(2) . ?
C8 C13 1.5203(19) . ?
C8 C9 1.5481(19) . ?
C9 C10 1.5042(19) . ?
C9 C17 1.5122(19) . ?
C10 C11 1.533(2) . ?
C10 H10A 0.983(19) . ?
C10 H10B 0.98(2) . ?
C11 C12 1.533(2) . ?
C11 H11A 0.960(18) . ?
C11 H11B 0.97(2) . ?
C12 C13 1.529(2) . ?
C12 H12A 0.984(18) . ?
C12 H12B 0.999(19) . ?
C13 H13A 0.971(18) . ?
C13 H13B 0.981(18) . ?
C14 C15 1.333(2) . ?
C14 H14 0.965(18) . ?
C15 C16 1.510(2) . ?
C15 H15 0.93(2) . ?
C16 C17 1.537(2) . ?
C16 H16 0.961(17) . ?
C17 H17 0.944(17) . ?
O71 H71 0.78(2) . ?
 
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
C4 Sn1 C3 111.15(7) . . ?
C4 Sn1 C5 107.79(6) . . ?
C3 Sn1 C5 111.28(6) . . ?
C4 Sn1 C2 111.70(8) . . ?
C3 Sn1 C2 108.11(7) . . ?
C5 Sn1 C2 106.75(6) . . ?
Sn1 C2 H2A 109.5 . . ?
Sn1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Sn1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Sn1 C3 H3A 109.5 . . ?
Sn1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Sn1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Sn1 C4 H4A 109.5 . . ?
Sn1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Sn1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O6 C5 C9 107.28(11) . . ?
O6 C5 C17 106.95(11) . . ?
C9 C5 C17 59.31(9) . . ?
O6 C5 Sn1 116.86(9) . . ?
C9 C5 Sn1 128.18(9) . . ?
C17 C5 Sn1 124.93(9) . . ?
C7 O6 C5 100.16(10) . . ?
O71 C7 O6 111.12(11) . . ?
O71 C7 C8 115.46(11) . . ?
O6 C7 C8 106.40(10) . . ?
O71 C7 C16 120.93(12) . . ?
O6 C7 C16 106.56(10) . . ?
C8 C7 C16 94.48(10) . . ?
C14 C8 C13 118.84(12) . . ?
C14 C8 C9 108.17(11) . . ?
C13 C8 C9 112.30(11) . . ?
C14 C8 C7 100.80(11) . . ?
C13 C8 C7 118.78(11) . . ?
C9 C8 C7 94.84(10) . . ?
C10 C9 C17 129.78(12) . . ?
C10 C9 C5 124.73(12) . . ?
C17 C9 C5 60.73(9) . . ?
C10 C9 C8 117.42(11) . . ?
C17 C9 C8 104.41(11) . . ?
C5 C9 C8 106.52(11) . . ?
C9 C10 C11 109.08(12) . . ?
C9 C10 H10A 110.0(11) . . ?
C11 C10 H10A 112.5(11) . . ?
C9 C10 H10B 108.6(11) . . ?
C11 C10 H10B 111.9(11) . . ?
H10A C10 H10B 104.7(15) . . ?
C12 C11 C10 111.23(13) . . ?
C12 C11 H11A 110.6(11) . . ?
C10 C11 H11A 109.8(11) . . ?
C12 C11 H11B 109.3(12) . . ?
C10 C11 H11B 109.0(11) . . ?
H11A C11 H11B 106.9(16) . . ?
C13 C12 C11 111.22(11) . . ?
C13 C12 H12A 111.3(10) . . ?
C11 C12 H12A 108.9(10) . . ?
C13 C12 H12B 109.4(11) . . ?
C11 C12 H12B 108.3(11) . . ?
H12A C12 H12B 107.7(14) . . ?
C8 C13 C12 110.44(12) . . ?
C8 C13 H13A 110.2(10) . . ?
C12 C13 H13A 108.1(11) . . ?
C8 C13 H13B 112.5(10) . . ?
C12 C13 H13B 111.4(10) . . ?
H13A C13 H13B 104.0(14) . . ?
C15 C14 C8 108.62(13) . . ?
C15 C14 H14 127.1(11) . . ?
C8 C14 H14 124.3(11) . . ?
C14 C15 C16 108.08(13) . . ?
C14 C15 H15 129.9(12) . . ?
C16 C15 H15 122.0(12) . . ?
C15 C16 C17 109.14(12) . . ?
C15 C16 C7 100.49(11) . . ?
C17 C16 C7 94.87(11) . . ?
C15 C16 H16 117.4(11) . . ?
C17 C16 H16 114.7(11) . . ?
C7 C16 H16 117.3(11) . . ?
C9 C17 C5 59.96(9) . . ?
C9 C17 C16 104.56(11) . . ?
C5 C17 C16 106.96(11) . . ?
C9 C17 H17 123.6(10) . . ?
C5 C17 H17 123.3(10) . . ?
C16 C17 H17 122.2(10) . . ?
C7 O71 H71 107.7(16) . . ?
 
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
C4 Sn1 C5 O6 -27.89(11) . . . . ?
C3 Sn1 C5 O6 94.22(10) . . . . ?
C2 Sn1 C5 O6 -148.03(10) . . . . ?
C4 Sn1 C5 C9 -173.15(12) . . . . ?
C3 Sn1 C5 C9 -51.04(13) . . . . ?
C2 Sn1 C5 C9 66.71(13) . . . . ?
C4 Sn1 C5 C17 110.90(11) . . . . ?
C3 Sn1 C5 C17 -126.99(11) . . . . ?
C2 Sn1 C5 C17 -9.24(13) . . . . ?
C9 C5 O6 C7 -30.92(12) . . . . ?
C17 C5 O6 C7 31.43(12) . . . . ?
Sn1 C5 O6 C7 177.06(8) . . . . ?
C5 O6 C7 O71 176.47(10) . . . . ?
C5 O6 C7 C8 50.02(12) . . . . ?
C5 O6 C7 C16 -49.92(12) . . . . ?
O71 C7 C8 C14 80.22(14) . . . . ?
O6 C7 C8 C14 -155.98(11) . . . . ?
C16 C7 C8 C14 -47.25(12) . . . . ?
O71 C7 C8 C13 -51.46(17) . . . . ?
O6 C7 C8 C13 72.33(14) . . . . ?
C16 C7 C8 C13 -178.94(12) . . . . ?
O71 C7 C8 C9 -170.22(11) . . . . ?
O6 C7 C8 C9 -46.42(12) . . . . ?
C16 C7 C8 C9 62.31(11) . . . . ?
O6 C5 C9 C10 -139.93(13) . . . . ?
C17 C5 C9 C10 120.26(15) . . . . ?
Sn1 C5 C9 C10 7.9(2) . . . . ?
O6 C5 C9 C17 99.81(12) . . . . ?
Sn1 C5 C9 C17 -112.36(13) . . . . ?
O6 C5 C9 C8 2.26(14) . . . . ?
C17 C5 C9 C8 -97.55(12) . . . . ?
Sn1 C5 C9 C8 150.09(10) . . . . ?
C14 C8 C9 C10 -86.67(15) . . . . ?
C13 C8 C9 C10 46.43(16) . . . . ?
C7 C8 C9 C10 170.28(12) . . . . ?
C14 C8 C9 C17 64.67(13) . . . . ?
C13 C8 C9 C17 -162.22(11) . . . . ?
C7 C8 C9 C17 -38.38(12) . . . . ?
C14 C8 C9 C5 127.91(12) . . . . ?
C13 C8 C9 C5 -98.98(13) . . . . ?
C7 C8 C9 C5 24.86(13) . . . . ?
C17 C9 C10 C11 168.94(14) . . . . ?
C5 C9 C10 C11 90.30(16) . . . . ?
C8 C9 C10 C11 -48.24(17) . . . . ?
C9 C10 C11 C12 54.66(16) . . . . ?
C10 C11 C12 C13 -61.59(17) . . . . ?
C14 C8 C13 C12 79.06(16) . . . . ?
C9 C8 C13 C12 -48.58(15) . . . . ?
C7 C8 C13 C12 -157.81(12) . . . . ?
C11 C12 C13 C8 57.57(16) . . . . ?
C13 C8 C14 C15 162.87(13) . . . . ?
C9 C8 C14 C15 -67.58(15) . . . . ?
C7 C8 C14 C15 31.22(15) . . . . ?
C8 C14 C15 C16 0.95(17) . . . . ?
C14 C15 C16 C17 66.49(16) . . . . ?
C14 C15 C16 C7 -32.46(16) . . . . ?
O71 C7 C16 C15 -75.55(15) . . . . ?
O6 C7 C16 C15 156.39(11) . . . . ?
C8 C7 C16 C15 47.80(12) . . . . ?
O71 C7 C16 C17 173.94(12) . . . . ?
O6 C7 C16 C17 45.88(12) . . . . ?
C8 C7 C16 C17 -62.71(11) . . . . ?
C10 C9 C17 C5 -112.53(16) . . . . ?
C8 C9 C17 C5 101.10(11) . . . . ?
C10 C9 C17 C16 146.04(14) . . . . ?
C5 C9 C17 C16 -101.42(12) . . . . ?
C8 C9 C17 C16 -0.32(13) . . . . ?
O6 C5 C17 C9 -100.38(11) . . . . ?
Sn1 C5 C17 C9 117.53(12) . . . . ?
O6 C5 C17 C16 -3.07(13) . . . . ?
C9 C5 C17 C16 97.30(12) . . . . ?
Sn1 C5 C17 C16 -145.17(10) . . . . ?
C15 C16 C17 C9 -64.33(14) . . . . ?
C7 C16 C17 C9 38.55(12) . . . . ?
C15 C16 C17 C5 -126.84(12) . . . . ?
C7 C16 C17 C5 -23.96(12) . . . . ?
 
