2,4-Diphenylquinoline and its Sterically Hindered Derivative 3-Methyl-2,4-diphenylquinoline
Ahmet, M. T.; Miller, J. R.; Osborne, A. G.; Warmsley, J. F.; Acta Crystallographica Section C 51 (1995) 2105–2108; doi:10.1107/S0108270195002794

data_2004004
_publ_section_title
;
 2,4-Diphenylquinoline and its Sterically Hindered Derivative
 3-Methyl-2,4-diphenylquinoline
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2105
_journal_page_last               2108
_journal_paper_doi               10.1107/S0108270195002794
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C22 H17 N'
_chemical_formula_weight         295.39
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                111.87(2)
_cell_angle_beta                 103.61(1)
_cell_angle_gamma                101.35(2)
_cell_formula_units_Z            2
_cell_length_a                   8.273(2)
_cell_length_b                   10.248(3)
_cell_length_c                   11.113(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      21.28
_cell_measurement_theta_min      17.11
_cell_volume                     806.5(4)
_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  0.032
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3041
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        2.38
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_T_max  0.9998
_exptl_absorpt_correction_T_min  0.9717
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.216
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.11
_refine_ls_goodness_of_fit_obs   0.478
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     276
_refine_ls_number_reflns         1521
_refine_ls_R_factor_obs          0.0600
_refine_ls_shift/esd_max         <0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+(0.02F)^2^+1]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0631
_reflns_number_observed          1521
_reflns_number_total             2827
_reflns_observed_criterion       I>1.5\s(I)
_cod_data_source_file            hu1097.cif
_cod_data_source_block           2
_cod_depositor_comments
;
 Changing the space group from '-P 2yn' to 'P -1' after consulting
 the original publication. All related space group information was changed
 accordingly.

 Antanas Vaitkus,
 2017-07-05

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+(0.02F)^2^+1]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+(0.02F)^2^+1]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        806.5(8)
_cod_database_code               2004004