Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one
Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M.; Acta Crystallographica Section C 52 (1996) 207–210; doi:10.1107/S0108270195009036

data_2004429
_publ_section_title
;
 Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles:
 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and
 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              207
_journal_page_last               210
_journal_paper_doi               10.1107/S0108270195009036
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          'C24 H29 N O'
_chemical_formula_moiety         'C24 H29 N O'
_chemical_formula_sum            'C24 H29 N O'
_chemical_formula_weight         347.5
_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'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 101.57(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.661(3)
_cell_length_b                   16.540(5)
_cell_length_c                   9.677(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      12
_cell_measurement_theta_min      8
_cell_volume                     1985.3(9)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  MolEN
_computing_structure_refinement  MolEN
_computing_structure_solution    'SIR88 (Burla et al., 1989)'
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3082
_diffrn_reflns_theta_max         23
_diffrn_standards_decay_%        0.12
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.90
_exptl_crystal_size_mid          0.65
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.341
_refine_diff_density_min         -0.258
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.34
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_number_parameters     176
_refine_ls_number_reflns         1327
_refine_ls_R_factor_obs          0.057
_refine_ls_shift/esd_max         0.03
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.056
_reflns_number_observed          1327
_reflns_number_total             2751
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            pa1188.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' unit' changed to 'unit'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1985.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2004429