8-(<i>N</i>,<i>N</i>-Di-<i>p</i>-toluenesulfonylamino)quinoline
Lincoln, S. F.; Mahadevan, I. B.; Tiekink, E. R. T.; Ward, A. D.; Acta Crystallographica Section C 49 (1993) 1775–1777; doi:10.1107/S0108270193002689

data_2001303
_publ_contact_author
;
                                       Dr ERT Tiekink,
                                       Department of Physical and
                                       Inorganic Chemistry,
                                       University of Adelaide,
                                       G.P.O. Box 498,
                                       Adelaide, S.A. 5001,
                                       AUSTRALIA
;
_publ_section_title
;
 8-(<i>N</i>,<i>N</i>-Di-<i>p</i>-toluenesulfonylamino)quinoline
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1775
_journal_page_last               1777
_journal_paper_doi               10.1107/S0108270193002689
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C23 H20 N2 O4 S2'
_chemical_formula_sum            'C23 H20 N2 O4 S2'
_chemical_formula_weight         452.5
_chemical_name_systematic        8-N,N-di-p-toluenesulphonamidoquinoline
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.784(4)
_cell_length_b                   22.510(4)
_cell_length_c                   13.409(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      33.9
_cell_measurement_theta_min      23.7
_cell_volume                     4160.5(17)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1992)
;
_computing_data_reduction
'TEXSAN PROCESS (Molecular Structure Corporation, 1992)'
_computing_publication_material  'TEXSAN FINISH'
_computing_structure_refinement  'TEXSAN LS'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device       AFC-6R
_diffrn_measurement_method       '\w/2-\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_sigmaI/netI    0.172
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4278
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         3.0
_diffrn_standards_decay_%        0.23
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_correction_T_max  1.099
_exptl_absorpt_correction_T_min  0.803
_exptl_absorpt_correction_type   'refdelf (Walker & Stuart, 1983)'
_exptl_absorpt_process_details   Walker&Stuart_DIFABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_description       multifaceted
_exptl_crystal_F_000             1888.00
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.29
_refine_diff_density_min         -0.24
_refine_ls_goodness_of_fit_obs   3.020
_refine_ls_hydrogen_treatment
'H atoms located from difference  maps; not refined'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         1272
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0550
_refine_ls_shift/esd_max         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0560
_reflns_number_observed          1272
_reflns_number_total             3813
_reflns_observed_criterion       I>=3.0\s(I)
_cod_data_source_file            as1053.cif
_cod_data_source_block           as1053a
_cod_original_cell_volume        4160.0(10)
_cod_original_sg_symbol_H-M      'P b c a    '
_cod_database_code               2001303