Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives
Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C.; Acta Crystallographica Section C 50 (1994) 239–245; doi:10.1107/S0108270193006997

data_2009476
_publ_section_title
;
 Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              239
_journal_page_last               245
_journal_paper_doi               10.1107/S0108270193006997
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C17 H18 N4 O3'
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_symmetry_space_group_name_H-M   'C 1 c 1'
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_cell_angle_gamma                90.
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_cell_length_b                   4.9430(10)
_cell_length_c                   19.793(3)
_cell_measurement_reflns_used    100
_cell_measurement_temperature    293
_cell_measurement_theta_max      12.4
_cell_measurement_theta_min      7.2
_cell_volume                     3340.4(10)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
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_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
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_diffrn_standards_decay_%        3.8
_diffrn_standards_interval_time  166.67
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_exptl_absorpt_coefficient_mu    8.56
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
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_exptl_crystal_description       Prismatic
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_refine_ls_extinction_coef       194.E3(7)
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_refine_ls_hydrogen_treatment    refall
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_refine_ls_number_reflns         2317
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_refine_ls_shift/esd_max         0.86
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 2W~f~xW~s~'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.048
_reflns_number_observed          1387
_reflns_number_total             4454
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            na1033.cif
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_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 2W~f~xW~s~' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 2W~f~xW~s~'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3340(2)
_cod_original_sg_symbol_H-M      'C c'
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