1-[4-(4-Bromobenzylideneamino)phenyl]-3-(4-bromophenyl)-2-propen-1-one
Li, Z.; Su, G.; Huang, X.; Acta Crystallographica Section C 50 (1994) 1788–1790; doi:10.1107/S0108270194001186

data_2010144
_publ_section_title
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 1-[4-(4-Bromobenzylideneamino)phenyl]-3-(4-bromophenyl)-2-propen-1-one
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1788
_journal_page_last               1790
_journal_paper_doi               10.1107/S0108270194001186
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C22 H15 Br2 N1 O1'
_chemical_formula_sum            'C22 H15 Br2 N O'
_chemical_formula_weight         469.17
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source           'Cromer & Waber (1974)'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   44.040(10)
_cell_length_b                   14.270(5)
_cell_length_c                   5.891(4)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    294
_cell_measurement_theta_max      11
_cell_measurement_theta_min      9
_cell_volume                     3702(3)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3785
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0.3
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.345
_exptl_absorpt_correction_T_max  1.7026
_exptl_absorpt_correction_T_min  0.3018
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.68
_exptl_crystal_description       plate
_exptl_crystal_size_max          1.0
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.68
_refine_diff_density_min         -0.74
_refine_ls_goodness_of_fit_obs   1.64
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     235
_refine_ls_number_reflns         1364
_refine_ls_R_factor_obs          0.064
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.072
_reflns_number_observed          1364
_reflns_number_total             3785
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            as1086.cif
_cod_data_source_block           as1068_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3702(5)
_cod_original_formula_sum        'C22 H15 Br2 N1 O1'
_cod_database_code               2010144