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

data_2001461
_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         'C34 H29 N1'
_chemical_formula_sum            'C34 H29 N'
_chemical_formula_weight         451.6
_chemical_name_systematic
' \a-phenyl-4'-bis(4-methylphenyl)-amino-stilbene'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 94.220(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   25.126(4)
_cell_length_b                   18.960(2)
_cell_length_c                   11.014(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      18.5
_cell_volume                     5232.7(14)
_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 diffractometer'
_diffrn_measurement_method
'\w-2\q scans of speed 4\% min^-1^ and \w-scan width (1.31 + 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       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9830
_diffrn_reflns_theta_max         65.0
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        +-3.1
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .466
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_description       plate
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.192
_refine_diff_density_min         -0.038
_refine_ls_goodness_of_fit_all   2.29
_refine_ls_goodness_of_fit_obs   2.29
_refine_ls_hydrogen_treatment    '46 H atoms refined'
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     815
_refine_ls_number_reflns         5469
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.079
_refine_ls_R_factor_obs          0.079
_refine_ls_shift/esd_max         0.31
_refine_ls_shift/esd_mean        0.028
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_all         0.076
_refine_ls_wR_factor_obs         0.076
_reflns_number_observed          5469
_reflns_number_total             9830
_reflns_observed_criterion       F~o~>3\s(F~o~)
_cod_data_source_file            as1045.cif
_cod_data_source_block           compound_A
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-02
;
_cod_original_cell_volume        5232.3(14)
_cod_original_formula_sum        'C34 H29 N1'
_cod_database_code               2001461