Silicon−Carbon Unsaturated Compounds. 74. Thermal Behavior of 1-Silacyclobut-3-enes Generated from the Reaction of Acylpolysilanes withtert-Butylacetylene
Naka, Akinobu; Motoike, Shingo; Senba, Norihito; Ohshita, Joji; Kunai, Atsutaka; Yoshizawa, Kazunari; Ishikawa, Mitsuo; Organometallics 27 (2008) 2750–; doi:10.1021/om701005b

data_4070785
_publ_section_title
;
 Silicon&#x2212;Carbon Unsaturated Compounds. 74. Thermal Behavior of
 1-Silacyclobut-3-enes Generated from the Reaction of Acylpolysilanes
 withtert-Butylacetylene
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2750
_journal_paper_doi               10.1021/om701005b
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C26 H52 O Si4 '
_chemical_formula_sum            'C26 H52 O Si4'
_chemical_formula_weight         493.04
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.110(1)
_cell_angle_beta                 94.399(2)
_cell_angle_gamma                115.6735(8)
_cell_formula_units_Z            2
_cell_length_a                   10.0468(5)
_cell_length_b                   10.3024(4)
_cell_length_c                   17.0558(5)
_cell_measurement_reflns_used    7572
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.4
_cell_volume                     1509.15(11)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9905
_diffrn_measured_fraction_theta_max 0.9905
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14296
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_exptl_absorpt_coefficient_mu    0.212
_exptl_absorpt_correction_T_max  0.958
_exptl_absorpt_correction_T_min  0.649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.085
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.774
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5643
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1147
_reflns_number_gt                5643
_reflns_number_total             6780
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om701005b-file001.cif
_cod_data_source_block           Ishikawa1
_cod_original_cell_volume        1509.2(1)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C26 H52 O Si4 '
_cod_database_code               4070785