1,4-Bis[2,2-bis(trimethylsilyl)ethenyl]benzene
Pawluć, Piotr; Marciniec, Bogdan; Kubicki, Maciej; Acta Crystallographica Section E 63 (2007) o4357–o4357; doi:10.1107/S1600536807050398

data_2215884
_publ_section_title
;
 1,4-Bis[2,2-bis(trimethylsilyl)ethenyl]benzene
;
_journal_coeditor_code           DN2244
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4357
_journal_page_last               o4357
_journal_paper_doi               10.1107/S1600536807050398
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C22 H42 Si4'
_chemical_formula_moiety         'C22 H42 Si4'
_chemical_formula_sum            'C22 H42 Si4'
_chemical_formula_weight         418.92
_chemical_name_systematic
;
1,4-Bis[2,2-bis(trimethylsilyl)ethenyl]benzene
;
_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                 92.293(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.050(2)
_cell_length_b                   6.5882(7)
_cell_length_c                   13.1661(14)
_cell_measurement_reflns_used    6578
_cell_measurement_temperature    100.0(10)
_cell_measurement_theta_max      29
_cell_measurement_theta_min      2
_cell_volume                     2691.1(4)
_computing_cell_refinement
;
CrysAlis RED
(Oxford Diffraction, 2006)
;
_computing_data_collection
;
CrysAlis CCD
(Oxford Diffraction, 2006)
;
_computing_data_reduction
;
CrysAlis RED
(Oxford Diffraction, 2006)
;
_computing_molecular_graphics    'XP (Siemens, 1989)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100.0(10)
_diffrn_detector_area_resol_mean 8.1929
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device_type  'Kuma KM-4-CCD four-circle'
_diffrn_measurement_method       '\w scan'
_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  0.0332
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13212
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.75
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    0.226
_exptl_absorpt_correction_T_max  0.989
_exptl_absorpt_correction_T_min  0.804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.034
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.374
_refine_diff_density_min         -0.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3547
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.05P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0792
_refine_ls_wR_factor_ref         0.0832
_reflns_number_gt                2579
_reflns_number_total             3547
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2244.cif
_cod_data_source_block           I
_cod_original_cell_volume        2691.2(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2215884
_cod_database_fobs_code          2215884