(1<i>R</i>*,3'<i>S</i>*,4'<i>R</i>*)-4'-(4-Chlorophenyl)-3'-[(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]-1'-methylspiro[acenaphthylene-1,2'-pyrrolidin]-2-one
Vennila, K. N.; Sankaran, M.; Mohan, P. S.; Velmurugan, D.; Acta Crystallographica Section E 67 (2011) o3376–o3377; doi:10.1107/S1600536811048896

data_2232783
_publ_section_title
;
 (1<i>R</i>*,3'<i>S</i>*,4'<i>R</i>*)-4'-(4-Chlorophenyl)-3'-[(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]-1'-methylspiro[acenaphthylene-1,2'-pyrrolidin]-2-one
;
_journal_coeditor_code           IM2325
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3376
_journal_page_last               o3377
_journal_paper_doi               10.1107/S1600536811048896
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C32 H23 Cl N2 O4'
_chemical_formula_moiety         'C32 H23 Cl N2 O4'
_chemical_formula_sum            'C32 H23 Cl N2 O4'
_chemical_formula_weight         534.97
_chemical_name_systematic
(1<i>R</i>*,3'<i>S</i>*,4'<i>R</i>*)-4'-(4-Chlorophenyl)-3'-[(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]-1'-methylspiro[acenaphthylene-1,2'-pyrrolidin]-2-one
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.328(3)
_cell_angle_beta                 91.945(3)
_cell_angle_gamma                105.388(3)
_cell_formula_units_Z            4
_cell_length_a                   10.7447(7)
_cell_length_b                   14.1678(9)
_cell_length_c                   18.3858(11)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.4
_cell_measurement_theta_min      1.1
_cell_volume                     2635.0(3)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART APEXII area-detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0375
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            47617
_diffrn_reflns_theta_full        28.43
_diffrn_reflns_theta_max         28.43
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    0.187
_exptl_absorpt_correction_T_max  0.961
_exptl_absorpt_correction_T_min  0.954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.423
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     705
_refine_ls_number_reflns         13107
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.943
_refine_ls_R_factor_all          0.1061
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0696P)^2^+0.5485P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1198
_refine_ls_wR_factor_ref         0.1513
_reflns_number_gt                6910
_reflns_number_total             13107
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            im2325.cif
_cod_data_source_block           I
_cod_database_code               2232783
_cod_database_fobs_code          2232783