Methyl 1'-(3-hydroxy-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2-oxo-2,3-dihydro-1<i>H</i>-indole-3-spiro-3'-pyrrolizidine-1'-carboxylate
P. Ramesh; S. Murugavel; A. Subbiahpandi; E. Ramesh; R. Raghunathan; Acta Crystallographica Section E 63 (2007) o3625–o3626; doi:10.1107/S160053680703629X

data_2214596
_publ_section_title
;Methyl
 1'-(3-hydroxy-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2-oxo-2,3-dihydro-1<i>H</i>-indole-3-spiro-3'-pyrrolizidine-1'-carboxylate
;
_journal_coeditor_code           CI2425
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3625
_journal_page_last               o3626
_journal_paper_doi               10.1107/S160053680703629X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C24 H23 N3 O5'
_chemical_formula_moiety         'C24 H23 N3 O5'
_chemical_formula_sum            'C24 H23 N3 O5'
_chemical_formula_weight         433.45
_chemical_name_systematic
'Methyl 1'-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-oxo-2,3-dihydro-1H-indole-3-spiro-3'-pyrrolizidine-1'-carboxylate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 93.184(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.0337(11)
_cell_length_b                   7.9573(6)
_cell_length_c                   19.9303(17)
_cell_measurement_reflns_used    6845
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.37
_cell_measurement_theta_min      2.8
_cell_volume                     2063.8(3)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'ZORTEP (Zsolnai, 1997)'
_computing_publication_material  'SHELXL97 and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX2 CCD area-detector'
_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  0.0453
_diffrn_reflns_av_sigmaI/netI    0.0393
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            19499
_diffrn_reflns_theta_full        25.37
_diffrn_reflns_theta_max         25.37
_diffrn_reflns_theta_min         1.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_T_max  0.982
_exptl_absorpt_correction_T_min  0.976
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.349
_refine_diff_density_min         -0.257
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         3783
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0775
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0957P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1581
_reflns_number_gt                2567
_reflns_number_total             3783
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2425.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2214596
_cod_database_fobs_code          2214596