(<i>E</i>)-1-Diphenylsilyl-2-triphenylsilylethene
Lee, Suk Joong; Han, Byung Hee; Sung, Chang-Keun; Kim, Jin-Gyu; Suh, Il-Hwan; Acta Crystallographica Section E 57 (2001) o271–o272; doi:10.1107/S1600536801003439

data_2200157
_publ_section_title
;
 (<i>E</i>)-1-Diphenylsilyl-2-triphenylsilylethene
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o271
_journal_page_last               o272
_journal_paper_doi               10.1107/S1600536801003439
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'C32 H28 Si2'
_chemical_formula_moiety         'C32 H28 Si2'
_chemical_formula_sum            'C32 H28 Si2'
_chemical_formula_weight         468.72
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                72.632(7)
_cell_angle_beta                 78.905(7)
_cell_angle_gamma                62.198(11)
_cell_formula_units_Z            2
_cell_length_a                   11.1046(12)
_cell_length_b                   11.4205(11)
_cell_length_c                   12.7004(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.32
_cell_measurement_theta_min      10.04
_cell_volume                     1357.1(3)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .996
_diffrn_measured_fraction_theta_max .996
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       'non-profiled \w/2\q'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .0235
_diffrn_reflns_av_sigmaI/netI    .0748
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4973
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .148
_exptl_absorpt_correction_T_max  .9807
_exptl_absorpt_correction_T_min  .9437
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             496
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .26
_exptl_crystal_size_min          .13
_refine_diff_density_max         .226
_refine_diff_density_min         -.184
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         4739
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          .1363
_refine_ls_R_factor_gt           .0627
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0497P)^2^+0.2159P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1461
_reflns_number_gt                2575
_reflns_number_total             4739
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv6003.cif
_cod_data_source_block           I
_cod_original_cell_volume        1357.1(2)
_cod_database_code               2200157
_cod_database_fobs_code          2200157