1'-Methyl-4'-phenyl-<i>H</i>-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-3''-1<i>H</i>-indol-2''(3''<i>H</i>)-one
P.G.Aravindan; S.Selvanayagam; D.Velmurugan; K.Ravikumar; J. Jayashankaran; R.Raghunathan; Acta Crystallographica Section E 60 (2004) o2152–o2154; doi:10.1107/S1600536804026911

data_2204593
_publ_section_title
1'-Methyl-4'-phenyl-<i>H</i>-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-3''-1<i>H</i>-indol-2''(3''<i>H</i>)-one
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2152
_journal_page_last               o2154
_journal_paper_doi               10.1107/S1600536804026911
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          'C30 H24 N2 O'
_chemical_formula_moiety         'C30 H24 N2 O'
_chemical_formula_sum            'C30 H24 N2 O'
_chemical_formula_weight         428.51
_chemical_name_systematic
;
1'-Methyl-4'-phenyl-9H-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-3''-
1H-indol-2''(3''H)-one
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.17520(10)
_cell_length_b                   13.6193(9)
_cell_length_c                   18.48700(10)
_cell_measurement_reflns_used    2136
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      2.46
_cell_volume                     4576.2(3)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
;
ZORTEP (Zsolnai, 1997) and PLATON (Spek, 2003)
;
_computing_publication_material  'SHELXL97 and PARST (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.899
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measurement_device_type
;
Bruker SMART APEX diffractometer
;
_diffrn_measurement_method       '\w 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  0.0630
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22067
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.17
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.229
_refine_diff_density_min         -0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4023
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.1226
_refine_ls_R_factor_gt           0.0805
_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^)+(0.0575P)^2^+2.8984P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1596
_refine_ls_wR_factor_ref         0.1786
_reflns_number_gt                2700
_reflns_number_total             4023
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wn6298.cif
_cod_data_source_block           I
_cod_original_cell_volume        4576.2(5)
_cod_original_sg_symbol_Hall     -P2ac2ab
_cod_database_code               2204593
_cod_database_fobs_code          2204593