A Stable Silicon Congener of Highly Strained Bicyclo[3.2.0]hepta-1,3,6-triene
Yoshihiro Kon; Jun Ogasawara; Kenkichi Sakamoto; Chizuko Kabuto; Mitsuo Kira; Journal of the American Chemical Society 125 (2003) 9310–9311; doi:10.1021/ja0359097

data_4114040
_publ_section_title
;
 A Stable Silicon Congener of Highly Strained
 Bicyclo[3.2.0]hepta-1,3,6-triene
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9310
_journal_page_last               9311
_journal_paper_doi               10.1021/ja0359097
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C34 H66 O Si3'
_chemical_formula_weight         575.15
_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                 98.969(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_b                   11.6439(5)
_cell_length_c                   42.775(4)
_cell_measurement_reflns_used    12967
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      23.24
_cell_measurement_theta_min      6.0
_cell_volume                     7460.4(9)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.8371
_diffrn_measured_fraction_theta_max 0.8371
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -47
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_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.24
_exptl_absorpt_coefficient_mu    0.149
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.024
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.36
_refine_diff_density_min         -0.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.043
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     688
_refine_ls_number_reflns         5734
_refine_ls_R_factor_gt           0.0730
_refine_ls_shift/su_max          0.0006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
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_reflns_number_gt                5734
_reflns_number_total             8947
_reflns_threshold_expression     F^2^>5.0\s(F^2^)
_cod_data_source_file            ja0359097si20030502_021644.cif
_cod_data_source_block           Saka992b
_cod_original_cell_volume        7460.2(9)
_cod_original_formula_sum        'C34 H66 O Si3 '
_cod_database_code               4114040