<i>N</i>-(<i>p</i>-Chlorophenyl)-3,3-diphenyl-4-(β-phenylstyryl)azetidin-2-one
Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Durlu, Tahsin Nuri; Acta Crystallographica Section C 56 (2000) e207–e208; doi:10.1107/S0108270100004546

data_2010943
_publ_section_title
<i>N</i>-(<i>p</i>-Chlorophenyl)-3,3-diphenyl-4-(\b-phenylstyryl)azetidin-2-one
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e207
_journal_page_last               e208
_journal_paper_doi               10.1107/S0108270100004546
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'C35 H26 Cl N O'
_chemical_formula_weight         512.02
_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                90.00
_cell_angle_beta                 92.972(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0672(13)
_cell_length_b                   12.6920(10)
_cell_length_c                   15.5238(17)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      20.05
_cell_volume                     2767.9(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1994)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .0305
_diffrn_reflns_av_sigmaI/netI    .0380
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8362
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        .56
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .166
_exptl_absorpt_correction_T_max  .944
_exptl_absorpt_correction_T_min  .866
_exptl_absorpt_correction_type   '\y scans (North et al., 1968)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          .85
_exptl_crystal_size_mid          .55
_exptl_crystal_size_min          .35
_refine_diff_density_max         .242
_refine_diff_density_min         -.347
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         8067
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          .117
_refine_ls_R_factor_gt           .048
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0740P)^2^+0.4079P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .165
_reflns_number_gt                4115
_reflns_number_total             8067
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            qa0260.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2010943
_cod_database_fobs_code          2010943