2,4,6-Triisopropyl-<i>N</i>-(8-quinolyl)benzenesulfonamide
da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris; Acta Crystallographica Section E 61 (2005) o3780–o3781; doi:10.1107/S1600536805032708

data_2207361
_publ_section_title
;
 2,4,6-Triisopropyl-<i>N</i>-(8-quinolyl)benzenesulfonamide
;
_journal_coeditor_code           TK6272
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3780
_journal_page_last               o3781
_journal_paper_doi               10.1107/S1600536805032708
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C24 H30 N2 O2 S'
_chemical_formula_moiety         'C24 H30 N2 O2 S'
_chemical_formula_sum            'C24 H30 N2 O2 S'
_chemical_formula_weight         410.56
_chemical_name_systematic
;
2,4,6-Triisopropyl-N-(8-quinolyl)benzenesulfonamide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.000(10)
_cell_angle_beta                 77.770(10)
_cell_angle_gamma                78.250(10)
_cell_formula_units_Z            4
_cell_length_a                   8.9210(10)
_cell_length_b                   14.303(2)
_cell_length_c                   18.888(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      20.40
_cell_measurement_theta_min      3.2
_cell_volume                     2271.6(6)
_computing_cell_refinement       'CAD-4/PC Software'
_computing_data_collection       'CAD-4/PC Software (Nonius, 1996)'
_computing_data_reduction        'REDU4 (Stoe & Cie, 1987)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0851
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8744
_diffrn_reflns_theta_full        67.9
_diffrn_reflns_theta_max         67.93
_diffrn_reflns_theta_min         2.43
_diffrn_standards_decay_%        1.0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.427
_exptl_absorpt_correction_T_max  0.867
_exptl_absorpt_correction_T_min  0.736
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.201
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     610
_refine_ls_number_reflns         8016
_refine_ls_number_restraints     232
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.149
_refine_ls_R_factor_gt           0.062
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0873P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.150
_refine_ls_wR_factor_ref         0.184
_reflns_number_gt                4265
_reflns_number_total             8016
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk6272.cif
_cod_data_source_block           I
_cod_original_cell_volume        2271.6(5)
_cod_database_code               2207361
_cod_database_fobs_code          2207361