<i>N</i>-Benzoyl-2-phenyldecahydroquinolin-4-one, C~22~H~23~NO~2~
Thiruvalluvar, A.; Sankar Raja Raj, K.; Krishna Pillay, M.; Venkatasubramanian, K.; Acta Crystallographica Section C 51 (1995) 2641–2643; doi:10.1107/S0108270195003702

data_2004325
_publ_section_title
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 <i>N</i>-Benzoyl-2-phenyldecahydroquinolin-4-one, C~22~H~23~NO~2~
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_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2641
_journal_page_last               2643
_journal_paper_doi               10.1107/S0108270195003702
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C22 H23 N O2'
_chemical_formula_weight         333.4
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.001(1)
_cell_length_b                   20.603(2)
_cell_length_c                   8.601(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      30
_cell_measurement_theta_min      14
_cell_volume                     1772.2(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.03
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1746
_diffrn_reflns_theta_max         65
_diffrn_standards_decay_%        negligible
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.59
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_density_meas      1.260
_exptl_crystal_density_method    'flotation in CCl~4~ and petroleum ether'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.15
_refine_diff_density_min         -0.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.18
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     226
_refine_ls_number_reflns         1288
_refine_ls_R_factor_obs          0.037
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.001F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.038
_reflns_number_observed          1288
_reflns_number_total             1317
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            vj1020.cif
_cod_data_source_block           vj1020a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' 1/[\s^2^(F)+0.001F^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)+0.001F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2004325