(2<i>SR</i>,3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,3'<i>RS</i>)-2-(2',3'-Dihydro-1'-hydroxy-3'-phenyl-1<i>H</i>-inden-2'-yl)-2,3-dihydro-3-phenylinden-1-one: isomer (II)
Ohba, Shigeru; Yohei, Yamamoto; Tanaka, Koichi; Acta Crystallographica Section E 60 (2004) o1795–o1796; doi:10.1107/S1600536804022445

data_2204319
_publ_section_title
;(2<i>SR</i>,3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,3'<i>RS</i>)-2-(2',3'-Dihydro-1'-hydroxy-3'-phenyl-1<i>H</i>-inden-2'-yl)-2,3-dihydro-3-phenylinden-1-one:
 isomer (II)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1795
_journal_page_last               o1796
_journal_paper_doi               10.1107/S1600536804022445
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          'C30 H24 O2 '
_chemical_formula_moiety         'C30 H24 O2 '
_chemical_formula_sum            'C30 H24 O2'
_chemical_formula_weight         416.52
_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'
_cell_angle_alpha                90
_cell_angle_beta                 100.52(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.883(4)
_cell_length_b                   11.290(5)
_cell_length_c                   13.418(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300
_cell_measurement_theta_max      13.6
_cell_measurement_theta_min      10.3
_cell_volume                     2216.7(13)
_computing_cell_refinement       ' WinAFC Diffractometer Control Software'
_computing_data_collection
' WinAFC Diffractometer Control Software (Rigaku, 1999)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 2001)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5794
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.3
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.982
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            'pale orange'
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.922
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     290
_refine_ls_number_reflns         5088
_refine_ls_R_factor_gt           0.0572
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0548P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1697
_reflns_number_gt                1507
_reflns_number_total             5088
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv6374.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C30 H24 O2 '
_cod_database_code               2204319
_cod_database_fobs_code          2204319