Glimepiride
Iwata, M.; Nagase, H.; Endo, T.; Ueda, H.; Acta Crystallographica Section C 53 (1997) 329–331; doi:10.1107/S0108270196002363

data_2006017
_publ_contact_author
;
Dr Haruhisa Ueda
Department of Physical Chemistry
Hoshi University
4-41 Ebara 2-Chome
Shinagawa-ku
Tokyo 142
Japan
;
_publ_section_title
;
 Glimepiride
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              329
_journal_page_last               331
_journal_paper_doi               10.1107/S0108270196002363
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C24 H34 N4 O5 S'
_chemical_formula_weight         490.62
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 111.96(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.279(4)
_cell_length_b                   9.812(3)
_cell_length_c                   18.178(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297
_cell_measurement_theta_max      28.47
_cell_measurement_theta_min      28.20
_cell_volume                     2527.5(12)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1991)
;
_computing_data_reduction
'TEXSAN PROCESS (Molecular Structure Corporation, 1985, 1992)'
_computing_publication_material  'TEXSAN FINISH'
_computing_structure_refinement  'TEXSAN LS'
_computing_structure_solution
'MULTAN88 (Debaerdemaeker, Germain, Main, Refaat & Woolfson, 1988)'
_diffrn_ambient_temperature      24.0
_diffrn_measurement_device       'Rigaku AFC-7R'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            4180
_diffrn_reflns_theta_max         60.06
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.1482
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_meas      ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1048.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.24
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.430
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         3272
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.046
_refine_ls_shift/esd_max         0.016
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.077
_reflns_number_observed          3272
_reflns_number_total             4015
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ta1073.cif
_cod_data_source_block           Glimepiride
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2527.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2006017