Methyl 1'-(2-hydroxy-1,3-dioxo-2,3-dihydro-1<i>H</i>-indan-2-yl)-2-oxo-5',6',7',7a'-tetrahydrospiro[1<i>H</i>-indole-3,3'(2<i>H</i>,2'<i>H</i>)-1'<i>H</i>-pyrrolizine]-1'-carboxylate
B. K. Satis Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; E. Ramesh; Acta Crystallographica Section E 63 (2007) o1492–o1494; doi:10.1107/S1600536807008094

data_2212465
_publ_section_title
;Methyl
 1'-(2-hydroxy-1,3-dioxo-2,3-dihydro-1<i>H</i>-indan-2-yl)-2-oxo-5',6',7',7a'-tetrahydrospiro[1<i>H</i>-indole-3,3'(2<i>H</i>,2'<i>H</i>)-1'<i>H</i>-pyrrolizine]-1'-carboxylate
;
_journal_coeditor_code           BI2158
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1492
_journal_page_last               o1494
_journal_paper_doi               10.1107/S1600536807008094
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C25 H22 N2 O6'
_chemical_formula_moiety         'C25 H22 N2 O6'
_chemical_formula_sum            'C25 H22 N2 O6'
_chemical_formula_weight         446.45
_chemical_name_systematic
;
Methyl
1'-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-indan-2-yl)-2-oxo-5',6',7',7a'-
tetrahydrospiro[1H-indole-3,3'(2H,2'H)-1'H-pyrrolizine]-1'-carboxylate
;
_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
_cell_angle_alpha                84.3890(10)
_cell_angle_beta                 85.3730(10)
_cell_angle_gamma                76.4020(10)
_cell_formula_units_Z            2
_cell_length_a                   8.6659(6)
_cell_length_b                   8.6988(6)
_cell_length_c                   14.5841(11)
_cell_measurement_reflns_used    2513
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.42
_cell_volume                     1061.56(13)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    '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 0.997
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       \w
_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  0.0178
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12205
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.98
_diffrn_reflns_theta_min         2.42
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.101
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.688
_refine_diff_density_min         -0.248
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4842
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0628
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1125P)^2^+0.2860P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1706
_refine_ls_wR_factor_ref         0.1822
_reflns_number_gt                3879
_reflns_number_total             4842
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2158.cif
_cod_data_source_block           I
_cod_database_code               2212465
_cod_database_fobs_code          2212465