Silicon−Carbon Unsaturated Compounds. 75. Thermal Isomerization of 2-Alkyl- and 2-Aryl-2-trimethylsiloxy-1,1-bis(trimethylsilyl)-1-silacyclohex-4-enes
Naka, Akinobu; Ueda, Shinsuke; Ohshita, Joji; Kunai, Atsutaka; Miura, Toshiko; Kobayashi, Hisayoshi; Ishikawa, Mitsuo; Organometallics 27 (2008) 2922–; doi:10.1021/om800219n

data_4071545
_publ_section_title
;
 Silicon&#x2212;Carbon Unsaturated Compounds. 75. Thermal Isomerization of
 2-Alkyl- and
 2-Aryl-2-trimethylsiloxy-1,1-bis(trimethylsilyl)-1-silacyclohex-4-enes
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              2922
_journal_paper_doi               10.1021/om800219n
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C30 H50 O Si4 '
_chemical_formula_sum            'C30 H50 O Si4'
_chemical_formula_weight         539.07
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 35.9850(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.4637(5)
_cell_length_b                   16.9235(5)
_cell_length_c                   18.3509(5)
_cell_measurement_reflns_used    20620
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.2
_cell_volume                     3369.21(17)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9969
_diffrn_measured_fraction_theta_max 0.9969
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            31455
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_exptl_absorpt_coefficient_mu    0.196
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1176.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.33
_refine_diff_density_min         -2.03
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   6.475
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     351
_refine_ls_number_reflns         19071
_refine_ls_R_factor_gt           0.0810
_refine_ls_shift/su_max          6.4940
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                19071
_reflns_number_total             30882
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om800219n-file001.cif
_cod_data_source_block           '_Naka050909_______________'
_cod_original_cell_volume        3369.2(2)
_cod_original_formula_sum        'C30 H50 O Si4 '
_cod_database_code               4071545