2,6-Diphenyl-3-vinylpyridine
Clegg, W.; Hewkin, C. T.; Jackson, R. F. W.; Acta Crystallographica Section C 51 (1995) 525–527; doi:10.1107/S0108270194010814

data_2003283
_publ_section_title
;
 2,6-Diphenyl-3-vinylpyridine
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              525
_journal_page_last               527
_journal_paper_doi               10.1107/S0108270194010814
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C19 H15 N'
_chemical_formula_weight         257.32
_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           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 95.970(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8386(9)
_cell_length_b                   15.3158(12)
_cell_length_c                   7.7899(6)
_cell_measurement_reflns_used    32
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      15.0
_cell_volume                     1404.79(19)
_computing_cell_refinement       DIF4
_computing_data_collection       'DIF4 (Stoe & Cie, 1988)'
_computing_data_reduction        'local programs'
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  'SHELXL93 and local programs'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1994)'
_computing_structure_solution    'SHELXTL/PC (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device       'Stoe-Siemens diffractometer'
_diffrn_measurement_method       '\w/\q scans with on-line profile fitting'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2277
_diffrn_reflns_theta_max         65.02
_diffrn_reflns_theta_min         3.75
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.538
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_description       block
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         .26
_refine_diff_density_min         -.21
_refine_ls_extinction_coef       0.0073(12)
_refine_ls_extinction_method     SHELXL93
_refine_ls_goodness_of_fit_all   1.059
_refine_ls_goodness_of_fit_obs   1.064
_refine_ls_hydrogen_treatment    ' H atoms riding with U(H) = 1.2U~eq~(C)'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         2260
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_restrained_S_obs      1.064
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_obs          0.0588
_refine_ls_shift/esd_max         <0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; w = 1/[\s^2^(F~o~^2^) + (0.1134P)^2^ + 0.2574P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1739
_refine_ls_wR_factor_obs         0.1597
_reflns_number_observed          2014
_reflns_number_total             2264
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            mu1138.cif
_cod_data_source_block           rfwj7
_cod_original_cell_volume        1404.8(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2003283
_cod_database_fobs_code          2003283