2,4,6-Triphenylpyridine
Ondracek, J.; Novotny, J.; Petru, M.; Lhotak, P.; Kuthan, J.; Acta Crystallographica Section C 50 (1994) 1809–1811; doi:10.1107/S0108270194002441

data_2010209
_publ_section_title
;
 2,4,6-Triphenylpyridine
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1809
_journal_page_last               1811
_journal_paper_doi               10.1107/S0108270194002441
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C23 H17 N1'
_chemical_formula_sum            'C23 H17 N'
_chemical_formula_weight         307.39
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.4870(10)
_cell_length_b                   19.600(2)
_cell_length_c                   11.2870(10)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    295
_cell_measurement_theta_max      17.77
_cell_measurement_theta_min      15.95
_cell_volume                     1656.3(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7008
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        -1.1
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.0663
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_description       parallelepiped
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.13
_refine_diff_density_min         -0.13
_refine_ls_goodness_of_fit_obs   0.35
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     285
_refine_ls_number_reflns         744
_refine_ls_R_factor_obs          0.039
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\sF~o~^2^ + 0.0009F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.039
_reflns_number_observed          744
_reflns_number_total             1533
_reflns_observed_criterion       I>1.96\s(I)
_cod_data_source_file            li1076.cif
_cod_data_source_block           li1076_structure_1_of_1
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-29

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\sF~o~^2^ + 0.0009F~o~^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\sF~o~^2^ +
0.0009F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1656.4(3)
_cod_original_formula_sum        'C23 H17 N1'
_cod_database_code               2010209