#------------------------------------------------------------------------------
#$Date: 2020-06-05 18:23:24 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252938 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/81/1558187.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_1558187
loop_
_publ_author_name
'Bender, Desiree N.'
'Lough, Alan J.'
'Wylie, R. Stephen'
'Gossage, Robert A.'
'Foucher, Daniel A.'
_publ_section_title
;
 Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline
 Organotins: Monomer Constructs for Stable Polystannanes
;
_journal_issue                   5
_journal_name_full               Inorganics
_journal_page_first              35
_journal_paper_doi               10.3390/inorganics8050035
_journal_volume                  8
_journal_year                    2020
_chemical_formula_moiety         'C29 H27 N O Sn'
_chemical_formula_sum            'C29 H27 N O Sn'
_chemical_formula_weight         524.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 93.8460(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3351(5)
_cell_length_b                   18.4709(9)
_cell_length_c                   14.3598(7)
_cell_measurement_reflns_used    9863
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.21
_cell_volume                     2470.5(2)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Kappa APEX-DUO CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_unetI/netI     0.0158
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            39843
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.517
_diffrn_reflns_theta_min         1.799
_diffrn_source
'sealed tube with Bruker Triumph monochromator'
_exptl_absorpt_coefficient_mu    1.054
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7028
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_description       plate
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.542
_refine_diff_density_min         -0.459
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         5684
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.0212
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0116P)²+1.9022P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0423
_refine_ls_wR_factor_ref         0.0452
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5023
_reflns_number_total             5684
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d17146_a7.cif
_cod_data_source_block           d17146_a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1558187
_shelx_shelxl_version_number     2016/6
_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. 
;
_shelx_estimated_absorpt_t_min   0.750
_shelx_estimated_absorpt_t_max   0.920
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_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
Sn1 Sn 0.59494(2) 0.71994(2) 0.48644(2) 0.01973(4) Uani 1 1 d . . . . .
O1 O 1.02871(14) 0.59781(7) 0.53395(9) 0.0298(3) Uani 1 1 d . . . . .
N1 N 0.83304(15) 0.63895(7) 0.44899(10) 0.0219(3) Uani 1 1 d . . . . .
C1 C 0.89413(18) 0.62655(8) 0.52893(12) 0.0207(3) Uani 1 1 d . . . . .
C2 C 1.0663(2) 0.59046(11) 0.43772(13) 0.0299(4) Uani 1 1 d . . . . .
H2A H 1.089930 0.539529 0.423653 0.036 Uiso 1 1 calc R U . . .
H2B H 1.149939 0.621273 0.425816 0.036 Uiso 1 1 calc R U . . .
C3 C 0.93132(19) 0.61548(9) 0.37766(12) 0.0242(4) Uani 1 1 d . . . . .
C4 C 0.9620(2) 0.67894(11) 0.31466(15) 0.0378(5) Uani 1 1 d . . . . .
H4A H 0.872521 0.694653 0.281053 0.057 Uiso 1 1 calc R U . . .
H4B H 1.030777 0.664037 0.269714 0.057 Uiso 1 1 calc R U . . .
H4C H 1.002403 0.719055 0.352578 0.057 Uiso 1 1 calc R U . . .
C5 C 0.8613(2) 0.55348(11) 0.32161(13) 0.0335(4) Uani 1 1 d . . . . .
H5A H 0.770352 0.570012 0.290718 0.050 Uiso 1 1 calc R U . . .
H5B H 0.842999 0.513160 0.363542 0.050 Uiso 1 1 calc R U . . .
H5C H 0.925492 0.537356 0.274465 0.050 Uiso 1 1 calc R U . . .
C6 C 0.82706(18) 0.63958(8) 0.61711(12) 0.0204(3) Uani 1 1 d . . . . .
C7 C 0.8923(2) 0.61475(9) 0.70118(12) 0.0250(4) Uani 1 1 d . . . . .
H7A H 0.983056 0.591351 0.702143 0.030 Uiso 1 1 calc R U . . .
C8 C 0.8249(2) 0.62418(10) 0.78349(13) 0.0282(4) Uani 1 1 d . . . . .
H8A H 0.869302 0.607339 0.840900 0.034 Uiso 1 1 calc R U . . .
C9 C 0.6927(2) 0.65819(10) 0.78174(12) 0.0271(4) Uani 1 1 d . . . . .
H9A H 0.645606 0.664035 0.837868 0.033 Uiso 1 1 calc R U . . .
C10 C 0.6287(2) 0.68389(9) 0.69773(12) 0.0234(4) Uani 1 1 d . . . . .
H10A H 0.538315 0.707545 0.697503 0.028 Uiso 1 1 calc R U . . .
C11 C 0.69422(18) 0.67565(8) 0.61421(11) 0.0197(3) Uani 1 1 d . . . . .
C12 C 0.41445(19) 0.78001(10) 0.53577(11) 0.0237(4) Uani 1 1 d . . . . .
C13 C 0.4172(2) 0.85556(10) 0.54397(13) 0.0293(4) Uani 1 1 d . . . . .
H13A H 0.499972 0.881405 0.527903 0.035 Uiso 1 1 calc R U . . .
C14 C 0.3009(2) 0.89347(12) 0.57520(14) 0.0387(5) Uani 1 1 d . . . . .
H14A H 0.304905 0.944731 0.580136 0.046 Uiso 1 1 calc R U . . .
C15 C 0.1799(2) 0.85694(13) 0.59900(15) 0.0434(5) Uani 1 1 d . . . . .
H15A H 0.100789 0.882953 0.620494 0.052 Uiso 1 1 calc R U . . .
C16 C 0.1740(2) 0.78246(14) 0.59155(15) 0.0421(5) Uani 1 1 d . . . . .
H16A H 0.090758 0.757129 0.607900 0.051 Uiso 1 1 calc R U . . .
C17 C 0.2899(2) 0.74462(11) 0.56012(14) 0.0324(4) Uani 1 1 d . . . . .
H17A H 0.284482 0.693400 0.555026 0.039 Uiso 1 1 calc R U . . .
C18 C 0.49036(18) 0.64541(9) 0.39039(12) 0.0209(3) Uani 1 1 d . . . . .
C19 C 0.5032(2) 0.57053(10) 0.39970(14) 0.0309(4) Uani 1 1 d . . . . .
H19A H 0.562869 0.550845 0.449612 0.037 Uiso 1 1 calc R U . . .
C20 C 0.4296(2) 0.52431(11) 0.33670(17) 0.0415(5) Uani 1 1 d . . . . .
H20A H 0.438073 0.473387 0.344579 0.050 Uiso 1 1 calc R U . . .
C21 C 0.3449(2) 0.55184(12) 0.26313(15) 0.0403(5) Uani 1 1 d . . . . .
H21A H 0.296375 0.520033 0.219622 0.048 Uiso 1 1 calc R U . . .
C22 C 0.3303(2) 0.62564(12) 0.25263(14) 0.0340(4) Uani 1 1 d . . . . .
H22A H 0.271717 0.644817 0.201866 0.041 Uiso 1 1 calc R U . . .
C23 C 0.40142(19) 0.67201(10) 0.31635(13) 0.0262(4) Uani 1 1 d . . . . .
H23A H 0.389189 0.722825 0.309322 0.031 Uiso 1 1 calc R U . . .
C24 C 0.71535(18) 0.80360(9) 0.42401(12) 0.0215(3) Uani 1 1 d . . . . .
C25 C 0.8074(2) 0.84825(11) 0.47779(14) 0.0352(5) Uani 1 1 d . . . . .
H25A H 0.822857 0.839334 0.542844 0.042 Uiso 1 1 calc R U . . .
C26 C 0.8773(2) 0.90576(12) 0.43809(17) 0.0446(5) Uani 1 1 d . . . . .
H26A H 0.938883 0.936079 0.476247 0.053 Uiso 1 1 calc R U . . .
C27 C 0.8578(2) 0.91906(11) 0.34396(16) 0.0384(5) Uani 1 1 d . . . . .
H27A H 0.905306 0.958600 0.317039 0.046 Uiso 1 1 calc R U . . .
C28 C 0.7694(2) 0.87492(11) 0.28916(15) 0.0356(5) Uani 1 1 d . . . . .
H28A H 0.756776 0.883446 0.223887 0.043 Uiso 1 1 calc R U . . .
C29 C 0.6981(2) 0.81762(10) 0.32881(13) 0.0288(4) Uani 1 1 d . . . . .
H29A H 0.636620 0.787595 0.290146 0.035 Uiso 1 1 calc R U . . .
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'
O O 0.0106 0.0060 '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_
_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
C18 Sn1 C24 115.10(6) . . ?
C18 Sn1 C11 117.09(6) . . ?
C24 Sn1 C11 114.92(6) . . ?
C18 Sn1 C12 102.03(6) . . ?
C24 Sn1 C12 102.00(7) . . ?
C11 Sn1 C12 102.36(6) . . ?
C1 O1 C2 105.48(13) . . ?
C1 N1 C3 108.09(14) . . ?
N1 C1 O1 118.41(15) . . ?
N1 C1 C6 123.97(16) . . ?
O1 C1 C6 117.60(15) . . ?
O1 C2 C3 105.17(14) . . ?
O1 C2 H2A 110.7 . . ?
C3 C2 H2A 110.7 . . ?
O1 C2 H2B 110.7 . . ?
C3 C2 H2B 110.7 . . ?
H2A C2 H2B 108.8 . . ?
N1 C3 C4 109.58(14) . . ?
N1 C3 C5 108.74(15) . . ?
C4 C3 C5 110.91(16) . . ?
N1 C3 C2 102.73(14) . . ?
C4 C3 C2 112.51(16) . . ?
C5 C3 C2 111.99(15) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C11 121.02(16) . . ?
C7 C6 C1 120.39(16) . . ?
C11 C6 C1 118.56(15) . . ?
C8 C7 C6 119.99(17) . . ?
C8 C7 H7A 120.0 . . ?
C6 C7 H7A 120.0 . . ?
C9 C8 C7 119.80(17) . . ?
C9 C8 H8A 120.1 . . ?
C7 C8 H8A 120.1 . . ?
C8 C9 C10 120.06(17) . . ?
C8 C9 H9A 120.0 . . ?
C10 C9 H9A 120.0 . . ?
C11 C10 C9 121.43(17) . . ?
C11 C10 H10A 119.3 . . ?
C9 C10 H10A 119.3 . . ?
C10 C11 C6 117.67(16) . . ?
C10 C11 Sn1 120.17(13) . . ?
C6 C11 Sn1 122.14(12) . . ?
C17 C12 C13 117.09(17) . . ?
C17 C12 Sn1 121.20(13) . . ?
C13 C12 Sn1 121.71(14) . . ?
C14 C13 C12 121.24(19) . . ?
C14 C13 H13A 119.4 . . ?
C12 C13 H13A 119.4 . . ?
C15 C14 C13 120.2(2) . . ?
C15 C14 H14A 119.9 . . ?
C13 C14 H14A 119.9 . . ?
C14 C15 C16 119.86(19) . . ?
C14 C15 H15A 120.1 . . ?
C16 C15 H15A 120.1 . . ?
C15 C16 C17 119.9(2) . . ?
C15 C16 H16A 120.0 . . ?
C17 C16 H16A 120.0 . . ?
C16 C17 C12 121.7(2) . . ?
C16 C17 H17A 119.2 . . ?
C12 C17 H17A 119.2 . . ?
C19 C18 C23 117.78(16) . . ?
C19 C18 Sn1 122.99(14) . . ?
C23 C18 Sn1 119.21(12) . . ?
C20 C19 C18 120.72(19) . . ?
C20 C19 H19A 119.6 . . ?
C18 C19 H19A 119.6 . . ?
C21 C20 C19 120.43(19) . . ?
C21 C20 H20A 119.8 . . ?
C19 C20 H20A 119.8 . . ?
C20 C21 C22 119.86(19) . . ?
C20 C21 H21A 120.1 . . ?
C22 C21 H21A 120.1 . . ?
C21 C22 C23 119.9(2) . . ?
C21 C22 H22A 120.0 . . ?
C23 C22 H22A 120.0 . . ?
C22 C23 C18 121.26(18) . . ?
C22 C23 H23A 119.4 . . ?
C18 C23 H23A 119.4 . . ?
C25 C24 C29 117.59(17) . . ?
C25 C24 Sn1 121.23(13) . . ?
C29 C24 Sn1 121.09(13) . . ?
C24 C25 C26 121.09(19) . . ?
C24 C25 H25A 119.5 . . ?
C26 C25 H25A 119.5 . . ?
C27 C26 C25 120.4(2) . . ?
C27 C26 H26A 119.8 . . ?
C25 C26 H26A 119.8 . . ?
C28 C27 C26 119.56(19) . . ?
C28 C27 H27A 120.2 . . ?
C26 C27 H27A 120.2 . . ?
C27 C28 C29 120.23(19) . . ?
C27 C28 H28A 119.9 . . ?
C29 C28 H28A 119.9 . . ?
C24 C29 C28 121.11(18) . . ?
C24 C29 H29A 119.4 . . ?
C28 C29 H29A 119.4 . . ?
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 C18 2.1378(16) . ?
Sn1 C24 2.1425(17) . ?
Sn1 C11 2.1602(16) . ?
Sn1 C12 2.1752(17) . ?
O1 C1 1.361(2) . ?
O1 C2 1.455(2) . ?
N1 C1 1.268(2) . ?
N1 C3 1.485(2) . ?
C1 C6 1.469(2) . ?
C2 C3 1.549(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.520(2) . ?
C3 C5 1.522(3) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.393(2) . ?
C6 C11 1.406(2) . ?
C7 C8 1.387(3) . ?
C7 H7A 0.9500 . ?
C8 C9 1.383(3) . ?
C8 H8A 0.9500 . ?
C9 C10 1.393(2) . ?
C9 H9A 0.9500 . ?
C10 C11 1.391(2) . ?
C10 H10A 0.9500 . ?
C12 C17 1.398(3) . ?
C12 C13 1.401(2) . ?
C13 C14 1.391(3) . ?
C13 H13A 0.9500 . ?
C14 C15 1.378(3) . ?
C14 H14A 0.9500 . ?
C15 C16 1.381(3) . ?
C15 H15A 0.9500 . ?
C16 C17 1.389(3) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C19 1.394(2) . ?
C18 C23 1.394(2) . ?
C19 C20 1.391(3) . ?
C19 H19A 0.9500 . ?
C20 C21 1.374(3) . ?
C20 H20A 0.9500 . ?
C21 C22 1.377(3) . ?
C21 H21A 0.9500 . ?
C22 C23 1.389(3) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 C25 1.388(3) . ?
C24 C29 1.390(2) . ?
C25 C26 1.389(3) . ?
C25 H25A 0.9500 . ?
C26 C27 1.374(3) . ?
C26 H26A 0.9500 . ?
C27 C28 1.370(3) . ?
C27 H27A 0.9500 . ?
C28 C29 1.392(3) . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
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
C3 N1 C1 O1 1.3(2) . . . . ?
C3 N1 C1 C6 -177.08(15) . . . . ?
C2 O1 C1 N1 1.0(2) . . . . ?
C2 O1 C1 C6 179.51(14) . . . . ?
C1 O1 C2 C3 -2.74(18) . . . . ?
C1 N1 C3 C4 -122.64(17) . . . . ?
C1 N1 C3 C5 115.98(16) . . . . ?
C1 N1 C3 C2 -2.84(18) . . . . ?
O1 C2 C3 N1 3.34(18) . . . . ?
O1 C2 C3 C4 121.09(17) . . . . ?
O1 C2 C3 C5 -113.17(17) . . . . ?
N1 C1 C6 C7 170.47(16) . . . . ?
O1 C1 C6 C7 -7.9(2) . . . . ?
N1 C1 C6 C11 -7.7(2) . . . . ?
O1 C1 C6 C11 173.89(14) . . . . ?
C11 C6 C7 C8 1.3(3) . . . . ?
C1 C6 C7 C8 -176.86(16) . . . . ?
C6 C7 C8 C9 0.1(3) . . . . ?
C7 C8 C9 C10 -1.0(3) . . . . ?
C8 C9 C10 C11 0.6(3) . . . . ?
C9 C10 C11 C6 0.8(2) . . . . ?
C9 C10 C11 Sn1 -177.65(13) . . . . ?
C7 C6 C11 C10 -1.7(2) . . . . ?
C1 C6 C11 C10 176.50(15) . . . . ?
C7 C6 C11 Sn1 176.69(12) . . . . ?
C1 C6 C11 Sn1 -5.1(2) . . . . ?
C17 C12 C13 C14 0.1(3) . . . . ?
Sn1 C12 C13 C14 179.71(14) . . . . ?
C12 C13 C14 C15 0.1(3) . . . . ?
C13 C14 C15 C16 -0.2(3) . . . . ?
C14 C15 C16 C17 0.0(3) . . . . ?
C15 C16 C17 C12 0.3(3) . . . . ?
C13 C12 C17 C16 -0.3(3) . . . . ?
Sn1 C12 C17 C16 -179.90(15) . . . . ?
C23 C18 C19 C20 0.2(3) . . . . ?
Sn1 C18 C19 C20 178.18(15) . . . . ?
C18 C19 C20 C21 1.1(3) . . . . ?
C19 C20 C21 C22 -1.3(3) . . . . ?
C20 C21 C22 C23 0.0(3) . . . . ?
C21 C22 C23 C18 1.3(3) . . . . ?
C19 C18 C23 C22 -1.4(3) . . . . ?
Sn1 C18 C23 C22 -179.47(14) . . . . ?
C29 C24 C25 C26 1.3(3) . . . . ?
Sn1 C24 C25 C26 -175.25(17) . . . . ?
C24 C25 C26 C27 -0.8(4) . . . . ?
C25 C26 C27 C28 -0.4(3) . . . . ?
C26 C27 C28 C29 1.0(3) . . . . ?
C25 C24 C29 C28 -0.7(3) . . . . ?
Sn1 C24 C29 C28 175.86(14) . . . . ?
C27 C28 C29 C24 -0.4(3) . . . . ?
