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_4115694
_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 H29 P Si '
_chemical_formula_sum            'C37 H29 P Si'
_chemical_formula_weight         532.70
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Fri Apr 20 01:35:54 2001'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 94.538(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.667(1)
_cell_length_b                   9.2935(6)
_cell_length_c                   17.903(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     2764.4(3)
_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 inf
_diffrn_measurement_device_type  'Rigaku RAXIS-II'
_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    0.048
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5578
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    0.168
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1120.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.74
_refine_diff_density_min         -0.52
_refine_ls_extinction_coef       0.023(5)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.213
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     353
_refine_ls_number_reflns         4354
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0654
_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) + 0.00360|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0848
_reflns_number_gt                4354
_reflns_number_total             5578
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja0160602_s2_3.cif
_cod_data_source_block           p-sily
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C37 H29 P Si '
_cod_database_code               4115694