<i>N</i>-Benzyl-3,4-diphenyl-2-azetidinone
Mousser, A.; Badeche, S.; Merazig, H.; Benhaoua, H.; Ait Sidhoum, D.; Acta Crystallographica Section C 52 (1996) 201–203; doi:10.1107/S0108270195004598

data_2004426
_publ_section_title
;
 <i>N</i>-Benzyl-3,4-diphenyl-2-azetidinone
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              201
_journal_page_last               203
_journal_paper_doi               10.1107/S0108270195004598
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C22 H19 N O'
_chemical_formula_weight         313.40
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 99.72(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.798(4)
_cell_length_b                   13.675(8)
_cell_length_c                   9.722(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      12
_cell_measurement_theta_min      8
_cell_volume                     890.8(10)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1156
_diffrn_reflns_theta_max         53.0
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.5214
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.168
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.177
_refine_diff_density_min         0.142
_refine_ls_extinction_coef       'g = 2.7142 \\times 10^-6^'
_refine_ls_extinction_method     'F~c~ = |F~c~|^2^/(1 + gF~c~Lp)'
_refine_ls_goodness_of_fit_obs   1.448
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     217
_refine_ls_number_reflns         795
_refine_ls_R_factor_obs          0.068
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.07F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.078
_reflns_number_observed          795
_reflns_number_total             1077
_reflns_observed_criterion       I>1.0\s(I)
_cod_data_source_file            pa1165.cif
_cod_data_source_block           pa1165a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w = 1/[\s^2^(F) +
0.07F^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(F) + 0.07F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        890.90(10)
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2004426