Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide
Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao; Journal of the American Chemical Society 123 (2001) 9210–9211; doi:10.1021/ja0160602

data_4115693
_publ_section_title
;
 Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium
 Sila-ylide but Similar to Phosphonium Ylide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9210
_journal_page_last               9211
_journal_paper_doi               10.1021/ja0160602
_journal_volume                  123
_journal_year                    2001
_chemical_formula_moiety         'C37 H27 F2 P Si '
_chemical_formula_sum            'C37 H27 F2 P Si'
_chemical_formula_weight         568.68
_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'
_audit_creation_date             'Sat Apr 21 21:41:39 2001'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                107.217(3)
_cell_angle_beta                 115.824(3)
_cell_angle_gamma                63.616(2)
_cell_formula_units_Z            2
_cell_length_a                   12.4740(7)
_cell_length_b                   13.1328(6)
_cell_length_c                   11.3443(5)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1486.44(13)
_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  graphite
_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    0.022
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5888
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    0.170
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             592.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.29
_refine_ls_extinction_coef       0.165(9)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     371
_refine_ls_number_reflns         4785
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00292|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0653
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                4785
_reflns_number_total             5888
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja0160602_s2_2.cif
_cod_data_source_block           p-sily-f
_cod_original_cell_volume        1486.4(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C37 H27 F2 P Si '
_cod_database_code               4115693