Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State
Atsushi Kawachi; Kohei Tamao; Journal of the American Chemical Society 122 (2000) 1919–1926; doi:10.1021/ja993101+

data_4115942
_publ_section_title
;
 Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in
 Solution and in the Solid State
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1919
_journal_page_last               1926
_journal_paper_doi               10.1021/ja993101+
_journal_volume                  122
_journal_year                    2000
_chemical_formula_moiety         'C27 H29 N Si Sn '
_chemical_formula_sum            'C27 H29 N Si Sn'
_chemical_formula_weight         514.31
_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 Feb 13 10:27:02 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                97.081(10)
_cell_angle_beta                 92.01(2)
_cell_angle_gamma                86.315(8)
_cell_formula_units_Z            2
_cell_length_a                   10.413(2)
_cell_length_b                   12.8154(7)
_cell_length_c                   9.740(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      32.0
_cell_measurement_theta_min      28.9
_cell_volume                     1286.7(4)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.01469
_diffrn_orient_matrix_UB_12      -0.01820
_diffrn_orient_matrix_UB_13      0.09491
_diffrn_orient_matrix_UB_21      0.00806
_diffrn_orient_matrix_UB_22      -0.07664
_diffrn_orient_matrix_UB_23      -0.03575
_diffrn_orient_matrix_UB_31      0.09480
_diffrn_orient_matrix_UB_32      -0.00114
_diffrn_orient_matrix_UB_33      0.02063
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_av_sigmaI/netI    0.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4060
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        -0.38
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.435
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.715
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             524.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.46
_refine_ls_extinction_coef       0.071(9)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.547
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     272
_refine_ls_number_reflns         3380
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.0030
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0697
_reflns_number_gt                3380
_reflns_number_total             3818
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja9931012B_3.cif
_cod_data_source_block           Compound-17
_cod_original_cell_volume        1286.7(3)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C27 H29 N Si Sn '
_cod_database_code               4115942