5-(4-Fluorobenzylidene)-4'-(4-fluorophenyl)-1,1'-dimethyldispiro[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione
Swamy, V. Rajni; Ramaswamy, S.; Srinivasan, N.; Kumar, R. Ranjith; Krishnakumar, R.V.; Acta Crystallographica Section E 68 (2012) o2839–o2840; doi:10.1107/S1600536812037245

data_2236722
_publ_section_title
;
 5-(4-Fluorobenzylidene)-4'-(4-fluorophenyl)-1,1'-dimethyldispiro[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione
;
_journal_coeditor_code           XU5607
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2839
_journal_page_last               o2840
_journal_paper_doi               10.1107/S1600536812037245
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C30 H27 F2 N3 O2'
_chemical_formula_moiety         'C30 H27 F2 N3 O2'
_chemical_formula_sum            'C30 H27 F2 N3 O2'
_chemical_formula_weight         499.55
_chemical_name_systematic
;
5-(4-Fluorobenzylidene)-4'-(4-fluorophenyl)-1,1'-
dimethyldispiro[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.920(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.1839(15)
_cell_length_b                   10.2809(5)
_cell_length_c                   18.7045(11)
_cell_measurement_reflns_used    5446
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     4973.8(5)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      300(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Kappa APEXII'
_diffrn_measurement_method       '\w and \f scan'
_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  0.0237
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            32062
_diffrn_reflns_theta_full        30.55
_diffrn_reflns_theta_max         30.55
_diffrn_reflns_theta_min         2.13
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  5
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.98
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2096
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.166
_refine_diff_density_min         -0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     671
_refine_ls_number_reflns         7610
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0514P)^2^+0.6706P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0907
_refine_ls_wR_factor_ref         0.1000
_reflns_number_gt                5922
_reflns_number_total             7610
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5607.cif
_cod_data_source_block           I
_cod_original_cell_volume        4973.9(5)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2236722
_cod_database_fobs_code          2236722