Structures of α-phenyl-amino-stilbene derivatives
Chiba, E.; Acta Crystallographica Section C 49 (1993) 1511–1514; doi:10.1107/S0108270193002057

data_2001462
_publ_section_title
;
 Structures of \a-phenyl-amino-stilbene derivatives
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1511
_journal_page_last               1514
_journal_paper_doi               10.1107/S0108270193002057
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C33 H27 N1 O1 '
_chemical_formula_sum            'C33 H27 N O'
_chemical_formula_weight         453.6
_chemical_name_systematic
' \a-phenyl-N-phenyl-N-(4-methoxyphenyl)-4'-amino-stilbene'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 97.44(3)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   21.595(5)
_cell_length_b                   10.311(3)
_cell_length_c                   11.2060(10)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      8.0
_cell_volume                     2474.2(10)
_computing_data_collection       'MXC^3^ control'
_computing_data_reduction        'Mac Science software'
_computing_structure_refinement  'DS*SYSTEM (Okada & Koyama, 1991)'
_computing_structure_solution
'MULTAN78 (Main, Hull, Lessinger, Germain, Declercq & Woolfson, 1978)'
_diffrn_ambient_temperature      296
_diffrn_measurement_device       'Mac Science MXC^3^ four-circle'
_diffrn_measurement_method
'\w-2\q scans of speed 4\% min^-1^ and \w-scan width (1.24 + 0.5tan\q)\%'
_diffrn_radiation_monochromator  'Pyrolitic graphite'
_diffrn_radiation_source         xray_tube
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3133
_diffrn_reflns_theta_max         50.0
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .526
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pale-green
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_description       needle
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.089
_refine_diff_density_min         -0.016
_refine_ls_goodness_of_fit_all   1.19
_refine_ls_goodness_of_fit_obs   1.19
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     424
_refine_ls_number_reflns         2043
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.053
_refine_ls_R_factor_obs          0.053
_refine_ls_shift/esd_max         0.316
_refine_ls_shift/esd_mean        0.045
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_all         0.047
_refine_ls_wR_factor_obs         0.047
_reflns_number_observed          2043
_reflns_number_total             3133
_reflns_observed_criterion       F~o~>3\s(F~o~)
_cod_data_source_file            as1045.cif
_cod_data_source_block           compound_B
_cod_original_cell_volume        2474.3(7)
_cod_original_formula_sum        'C33 H27 N1 O1 '
_cod_database_code               2001462