Crystal structure of 2-(11-oxo-10<i>H</i>,11<i>H</i>-indeno[1,2-<i>b</i>]chromen-10-yl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione
Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antanr A.; Albayati, Mustafa R.; Acta Crystallographica Section E 71 (2015) o333–o334; doi:10.1107/S2056989015007495

data_2240682
_publ_section_title
;
 Crystal structure of
 2-(11-oxo-10<i>H</i>,11<i>H</i>-indeno[1,2-<i>b</i>]chromen-10-yl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione
;
_journal_coeditor_code           IS5397
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o333
_journal_page_last               o334
_journal_paper_doi               10.1107/S2056989015007495
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C25 H14 O4'
_chemical_formula_moiety         'C25 H14 O4'
_chemical_formula_sum            'C25 H14 O4'
_chemical_formula_weight         378.36
_chemical_name_systematic
2-(11-Oxo-10<i>H</i>,11<i>H</i>-indeno[1,2-<i>b</i>]chromen-10-yl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 101.1410(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7409(2)
_cell_length_b                   14.4740(3)
_cell_length_c                   14.2774(3)
_cell_measurement_reflns_used    9790
_cell_measurement_temperature    150.(2)
_cell_measurement_theta_max      72.2664
_cell_measurement_theta_min      3.0532
_cell_volume                     1772.28(7)
_computing_cell_refinement
;
<i>SAINT</i> (Bruker, 2014)
;
_computing_data_collection
;
<i>APEX2</i> (Bruker, 2014)
;
_computing_data_reduction
;
<i>SAINT</i> (Bruker, 2014)
;
_computing_molecular_graphics
;
<i>DIAMOND</i> (Brandenburg & Putz, 2012)
;
_computing_publication_material
;
<i>SHELXL2014</i> (Sheldrick, 2015)
;
_computing_structure_refinement
;
<i>SHELXL2014</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
<i>SHELXTL</i> (Sheldrick, 2008)
;
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON 100 CMOS'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            28946
_diffrn_reflns_theta_full        72.400
_diffrn_reflns_theta_max         72.439
_diffrn_reflns_theta_min         4.392
_exptl_absorpt_coefficient_mu    0.784
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2014)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.232
_exptl_crystal_size_mid          0.217
_exptl_crystal_size_min          0.111
_refine_diff_density_max         0.193
_refine_diff_density_min         -0.210
_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     262
_refine_ls_number_reflns         3495
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0457P)^2^+0.5107P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0872
_refine_ls_wR_factor_ref         0.0899
_reflns_number_gt                3189
_reflns_number_total             3495
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            is5397sup1.cif
_cod_data_source_block           I
_cod_database_code               2240682
_cod_database_fobs_code          2240682
_shelx_estimated_absorpt_t_min   0.839
_shelx_estimated_absorpt_t_max   0.918
_shelx_hkl_checksum              57842
_shelx_res_checksum              31016
_shelxl_version_number           2014/6