5,8-Bis(trimethylsilylethynyl)quinoline
Kahn, Muhammed S.; Ahrens, Birte; Male, Louise; Raithby, Paul R.; Acta Crystallographica Section E 58 (2002) o1220–o1221; doi:10.1107/S1600536802018184

data_2201358
_publ_section_title
;
 5,8-Bis(trimethylsilylethynyl)quinoline
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1220
_journal_page_last               o1221
_journal_paper_doi               10.1107/S1600536802018184
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'C19 H23 N Si2'
_chemical_formula_moiety         'C19 H23 N Si2'
_chemical_formula_sum            'C19 H23 N Si2'
_chemical_formula_weight         321.56
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 104.960(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.334(2)
_cell_length_b                   10.604(2)
_cell_length_c                   12.465(2)
_cell_measurement_reflns_used    4490
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      25.15
_cell_measurement_theta_min      3.83
_cell_volume                     1958.1(6)
_computing_cell_refinement       'HKL SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection
'R-AXIS IIc Control Software (Rigaku/MSC, 1997)'
_computing_data_reduction
'HKL DENZO (Otwinowski & Minor, 1997) and SCALEPACK'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.898
_diffrn_measured_fraction_theta_max 0.898
_diffrn_measurement_device_type  'Rigaku R-AXIS IIc'
_diffrn_measurement_method       \f
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0666
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5136
_diffrn_reflns_theta_full        25.18
_diffrn_reflns_theta_max         25.18
_diffrn_reflns_theta_min         3.83
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.178
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.091
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.363
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     205
_refine_ls_number_reflns         3166
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_gt           0.0829
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.1197P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2245
_reflns_number_gt                2003
_reflns_number_total             3166
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf6215.cif
_cod_data_source_block           I
_cod_original_cell_volume        1958.1(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2201358
_cod_database_fobs_code          2201358