<i>trans</i>-1,2-Bis(8-hydroxy-2-quinolinyl)ethene: Comparison with <i>trans</i>-Stilbene
Yoneda, A.; Hakushi, T.; Newkome, G. R.; Matsushita, T.; Acta Crystallographica Section C 52 (1996) 172–174; doi:10.1107/S0108270195011450

data_2004403
_publ_section_title
;
 <i>trans</i>-1,2-Bis(8-hydroxy-2-quinolinyl)ethene: Comparison with
 <i>trans</i>-Stilbene
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              172
_journal_page_last               174
_journal_paper_doi               10.1107/S0108270195011450
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C20 H14 N2 O2'
_chemical_formula_weight         314.34
_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'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 92.25(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.380(7)
_cell_length_b                   4.650(4)
_cell_length_c                   16.040(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      14.90
_cell_measurement_theta_min      13.05
_cell_volume                     773.6(10)
_computing_cell_refinement       'Rigaku AFC7R software'
_computing_data_collection       'Rigaku AFC7R software'
_computing_data_reduction        'Rigaku AFC7R software'
_computing_molecular_graphics
'TEXSAN (Molecular Structure Corporation, 1992)'
_computing_structure_refinement  'DIRDIF92 (Beurskens et al., 1992)'
_computing_structure_solution    'SAPI91 (Fan, 1991)'
_diffrn_measurement_device       'Rigaku AFC-7R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.010
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            1833
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 150
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_meas      1.346
_exptl_crystal_density_method    pycnometry
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.13
_refine_diff_density_min         -0.14
_refine_ls_extinction_coef       3.68605E-6
_refine_ls_extinction_method     'Lp secondary'
_refine_ls_goodness_of_fit_obs   2.45
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     138
_refine_ls_number_reflns         1078
_refine_ls_R_factor_obs          0.036
_refine_ls_shift/esd_max         0.48
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.032
_reflns_number_observed          1078
_reflns_number_total             1740
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            kh1043.cif
_cod_data_source_block           kh1043a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w = 1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        773.6(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2004403