Diethyl 2-(2,3-diphenylquinoxalin-6-ylaminomethylene)malonate
Lokaj, J.; Kettmann, V.; Vrábel, V.; Ilavský, D.; Milata, V.; Acta Crystallographica Section C 50 (1994) 1784–1786; doi:10.1107/S0108270194001964

data_2010202
_publ_section_title
;
 Diethyl 2-(2,3-diphenylquinoxalin-6-ylaminomethylene)malonate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1784
_journal_page_last               1786
_journal_paper_doi               10.1107/S0108270194001964
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C28 H25 N3 O5'
_chemical_formula_sum            'C28 H25 N3 O4'
_chemical_formula_weight         467.5
_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                 103.85(6)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   17.714(9)
_cell_length_b                   7.571(5)
_cell_length_c                   17.974(10)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293
_cell_measurement_theta_max      18
_cell_measurement_theta_min      6
_cell_volume                     2340(2)
_diffrn_measurement_device       P2~1~
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            2946
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'brownish yellow'
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_meas      1.330(10)
_exptl_crystal_density_method    'flotation in bromomethane/cyclohexane'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.24
_refine_ls_goodness_of_fit_obs   1.23
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     325
_refine_ls_number_reflns         1311
_refine_ls_R_factor_obs          0.072
_refine_ls_shift/esd_max         0.15
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~) + (0.04F~o~)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.068
_reflns_number_observed          1311
_reflns_number_total             2702
_reflns_observed_criterion       I>=2\s(I)
_cod_data_source_file            ka1063.cif
_cod_data_source_block           ka1063_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~) + (0.04F~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/[\s^2^(F~o~) +
(0.04F~o~)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010202