Chirality Transfer during the [2,3]-sila-Wittig Rearrangement and Cyclopropanation Reaction of Optically Active [(sec-Allyloxy)silyl]lithiums
Atsushi Kawachi; Hirofumi Maeda; Hiroshi Nakamura; Noriyuki Doi; Kohei Tamao; Journal of the American Chemical Society 123 (2001) 3143–3144; doi:10.1021/ja003749i

data_4115467
_publ_contact_author_email       kawachi@scl.kyoto-u.ac.jp
_publ_contact_author_fax         +81-774-38-3186
_publ_contact_author_name        'Atsushi Kawachi'
_publ_contact_author_phone       +81-774-38-3182
_publ_section_title
;
 Chirality Transfer during the [2,3]-sila-Wittig Rearrangement and
 Cyclopropanation Reaction of Optically Active
 [(sec-Allyloxy)silyl]lithiums
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3143
_journal_page_last               3144
_journal_paper_doi               10.1021/ja003749i
_journal_volume                  123
_journal_year                    2001
_chemical_formula_moiety         'C38 H41 F3 O3 Si '
_chemical_formula_sum            'C38 H41 F3 O3 Si'
_chemical_formula_weight         630.82
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             'Sun Oct  1 20:17:28 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 109.627(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0758(2)
_cell_length_b                   20.0931(5)
_cell_length_c                   9.8574(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1693.16(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      173.2
_diffrn_detector_area_resol_mean 0.010000
_diffrn_measurement_device_type  'Rigaku RAXIS-IV'
_diffrn_radiation_detector       'Imaging Plate'
_diffrn_radiation_monochromator  filter
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_av_sigmaI/netI    0.030
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    0.121
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_description       unknown
_exptl_crystal_F_000             668.00
_exptl_crystal_size_max          0.650
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.45
_refine_ls_extinction_coef       0.41(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0514
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00490|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0720
_reflns_number_gt                3451
_reflns_number_total             3758
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja003749i.cif
_cod_data_source_block           abcp
_cod_original_cell_volume        1693.1700
_cod_original_sg_symbol_H-M      'P 21 '
_cod_original_formula_sum        'C38 H41 F3 O3 Si '
_cod_database_code               4115467