Two <i>N</i>-Aryl-Substituted Silyl Carbamates
Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D.; Acta Crystallographica Section C 52 (1996) 2063–2066; doi:10.1107/S0108270196006439

data_2005266
_publ_section_title
;
 Two <i>N</i>-Aryl-Substituted Silyl Carbamates
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2063
_journal_page_last               2066
_journal_paper_doi               10.1107/S0108270196006439
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          'C14 H23 N1 O2 Si1'
_chemical_formula_sum            'C14 H23 N O2 Si'
_chemical_formula_weight         265.42
_chemical_melting_point          .326E-305
_chemical_name_systematic
;
trimethylsilyl N-phenyl N-tert-buthyl carbamate
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90
_cell_angle_beta                 94.57(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.508(5)
_cell_length_b                   6.240(9)
_cell_length_c                   28.128(6)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      51.77
_cell_measurement_theta_min      27.08
_cell_volume                     3238(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction
'TEXSAN PROCESS (Molecular Structure Corporation, 1985, 1992)'
_computing_publication_material  'TEXSAN FINISH'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Rigaku AFC-6S'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0616
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            3306
_diffrn_reflns_theta_max         75.21
_diffrn_reflns_theta_min         3.15
_diffrn_standards_decay_%        0.96
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.241
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.907
_exptl_absorpt_correction_type   '\y scan'
_exptl_crystal_colour            transparent
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.209
_refine_diff_density_min         -0.294
_refine_ls_abs_structure_details 'Flack (1983) parameter = 0.23(5)'
_refine_ls_abs_structure_Flack   0.23(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.082
_refine_ls_goodness_of_fit_obs   1.093
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         3303
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      1.082
_refine_ls_restrained_S_obs      1.078
_refine_ls_R_factor_all          0.1177
_refine_ls_R_factor_obs          0.0434
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.0467P)^2^ + 2.6934P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1435
_refine_ls_wR_factor_obs         0.1027
_reflns_number_observed          1827
_reflns_number_total             3306
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ka1195.cif
_cod_data_source_block           2
_cod_original_cell_volume        3238.(5)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2005266