Absolute helical arrangement of sulfonamide in the crystal.
Azumaya, Isao; Kato, Takako; Okamoto, Iwao; Yamasaki, Ryu; Tanatani, Aya; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Takayanagi, Hiroaki; Organic letters 5 (2003) 3939–3942; doi:10.1021/ol035509o

data_1507378
_publ_section_title
;
 Absolute helical arrangement of sulfonamide in the crystal.
;
_journal_issue                   21
_journal_name_full               'Organic letters'
_journal_page_first              3939
_journal_page_last               3942
_journal_paper_doi               10.1021/ol035509o
_journal_volume                  5
_journal_year                    2003
_chemical_formula_moiety         'C22 H24 N2 O4 S2 '
_chemical_formula_sum            'C22 H24 N2 O4 S2'
_chemical_formula_weight         444.56
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.994(3)
_cell_length_b                   11.904(3)
_cell_length_c                   15.388(3)
_cell_measurement_temperature    296.2
_cell_measurement_theta_min      90.0
_cell_volume                     2197.0(9)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9963
_diffrn_measured_fraction_theta_max 0.9963
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            2485
_diffrn_reflns_theta_full        72.65
_diffrn_reflns_theta_max         72.65
_diffrn_standards_decay_%        0.53
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.457
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.870
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.23
_refine_ls_abs_structure_Flack   0.00000
_refine_ls_extinction_coef       0.16(1)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
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_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     137
_refine_ls_number_reflns         2178
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00160|Fo|^2^]'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1636
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           tka173101
_cod_original_cell_volume        2197.2(9)
_cod_original_sg_symbol_H-M      'P 21/b 2/c 21/n'
_cod_original_formula_sum        'C22 H24 N2 O4 S2 '
_cod_database_code               1507378