Two Antithrombotic Quinazolone Derivatives
Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J.; Acta Crystallographica Section C 51 (1995) 723–726; doi:10.1107/S0108270194003938

data_2003357
_publ_contact_author
;
      Zsolt B\"ocskei
      Department of Chemical Research
      Chinoin Pharmaceuticals
      POB 110
      1325 Budapest
      Hungary
;
_publ_section_title
;
 Two Antithrombotic Quinazolone Derivatives
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              723
_journal_page_last               726
_journal_paper_doi               10.1107/S0108270194003938
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C25 H25 N3 O'
_chemical_formula_weight         383.48
_space_group_IT_number           15
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_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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_cell_angle_alpha                90.00
_cell_angle_beta                 96.62(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.053(6)
_cell_length_b                   11.451(3)
_cell_length_c                   19.309(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      48.23
_cell_measurement_theta_min      44.07
_cell_volume                     4184.7(18)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1989)
;
_computing_data_reduction
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1989)
;
_computing_publication_material  'FINISH TEXSAN'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1994)'
_computing_structure_solution
'PROCESS TEXSAN (Molecular Structure Corporation, 1992)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            4257
_diffrn_reflns_theta_max         75.38
_diffrn_reflns_theta_min         4.5
_diffrn_standards_decay_%        -2.24
_diffrn_standards_interval_count 0
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.590
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Pinkish
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_exptl_crystal_description       Octahedral
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_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^)+(0.0892P)^2^ +3.3572P]'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0892P)^2^ +3.3572P]' 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^(Fo^2^)+(0.0892P)^2^ +3.3572P]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4184.6(19)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2003357