<i>N,N</i>-Dibenzyltriphenylmethanesulfenamide
Brito, Ivań; Vargas, Danitza; Leoń, Yasna; Caŕdenas, Alejandro; Loṕez-Rodriǵuez, Matiás; Wittke, Oscar; Acta Crystallographica Section E 60 (2004) o1668–o1670; doi:10.1107/S1600536804021427

data_2204257
_publ_section_title
;
 <i>N,N</i>-Dibenzyltriphenylmethanesulfenamide
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1668
_journal_page_last               o1670
_journal_paper_doi               10.1107/S1600536804021427
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          'C33 H29 N S'
_chemical_formula_moiety         'C33 H29 N S'
_chemical_formula_sum            'C33 H29 N S'
_chemical_formula_weight         471.63
_chemical_melting_point          409
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                106.822(13)
_cell_angle_beta                 99.037(13)
_cell_angle_gamma                100.245(19)
_cell_formula_units_Z            2
_cell_length_a                   10.009(2)
_cell_length_b                   10.519(3)
_cell_length_c                   13.3110(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.41
_cell_measurement_theta_min      11.97
_cell_volume                     1287.3(5)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius 1994)'
_computing_data_reduction        'XCDA4 (Harms, 1996)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5442
_diffrn_reflns_theta_full        73.91
_diffrn_reflns_theta_max         73.91
_diffrn_reflns_theta_min         5.16
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 120
_diffrn_standards_interval_time  1
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.263
_exptl_absorpt_correction_T_max  0.8274
_exptl_absorpt_correction_T_min  0.7160
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         5207
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0525P)^2^+0.217P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1223
_reflns_number_gt                3437
_reflns_number_total             5207
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ac6116.cif
_cod_data_source_block           I
_cod_database_code               2204257
_cod_database_fobs_code          2204257