1-Acetyl-7a'-phenylspiro[3<i>H</i>-indole-3,2'(2a'<i>H</i>)-oxeto[2,3-<i>b</i>]benzofuran]-2(1<i>H</i>)-one
Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Xue, Jie; Xu, Jian-Hua; Acta Crystallographica Section E 57 (2001) o852–o854; doi:10.1107/S1600536801013125

data_2200434
_publ_section_title
1-Acetyl-7a'-phenylspiro[3<i>H</i>-indole-3,2'(2a'<i>H</i>)-oxeto[2,3-<i>b</i>]benzofuran]-2(1<i>H</i>)-one
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o852
_journal_page_last               o854
_journal_paper_doi               10.1107/S1600536801013125
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'C24 H17 N O4'
_chemical_formula_moiety         'C24 H17 N O4'
_chemical_formula_sum            'C24 H17 N O4'
_chemical_formula_weight         383.39
_chemical_melting_point          477
_chemical_name_systematic
;
1-Acetyl-7a'-phenyl-spiro[3H-indole-3,2'(2a'H)oxeto
[2,3-b]benzofuran-2(1H)-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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                68.1190(10)
_cell_angle_beta                 80.8300(10)
_cell_angle_gamma                75.0830(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2136(2)
_cell_length_b                   10.2904(3)
_cell_length_c                   10.9603(3)
_cell_measurement_reflns_used    3227
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      2.01
_cell_volume                     929.47(4)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material
'SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 1990)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full .989
_diffrn_measured_fraction_theta_max .989
_diffrn_measurement_device_type  'Siemens SMART 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     .71073
_diffrn_reflns_av_R_equivalents  .0477
_diffrn_reflns_av_sigmaI/netI    .0865
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5322
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    .094
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             400
_exptl_crystal_size_max          .36
_exptl_crystal_size_mid          .28
_exptl_crystal_size_min          .18
_refine_diff_density_max         .285
_refine_diff_density_min         -.308
_refine_ls_extinction_coef       .081(8)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   .938
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         3231
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .938
_refine_ls_R_factor_all          .0883
_refine_ls_R_factor_gt           .0644
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_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_ref         .1686
_reflns_number_gt                2148
_reflns_number_total             3231
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf6102.cif
_cod_data_source_block           I
_cod_database_code               2200434
_cod_database_fobs_code          2200434