(2<i>RS</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 (I)
Ohba, Shigeru; Yohei, Yamamoto; Tanaka, Koichi; Acta Crystallographica Section E 60 (2004) o1793–o1794; doi:10.1107/S1600536804022457

data_2204318
_publ_section_title
;(2<i>RS</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 (I)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1793
_journal_page_last               o1794
_journal_paper_doi               10.1107/S1600536804022457
_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                 99.63(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.985(3)
_cell_length_b                   9.529(3)
_cell_length_c                   13.154(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297
_cell_measurement_theta_max      12.8
_cell_measurement_theta_min      10.1
_cell_volume                     2222.6(10)
_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  0.035
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6053
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.5
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.974
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     290
_refine_ls_number_reflns         5110
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0731P)^2^+0.206P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1668
_reflns_number_gt                2464
_reflns_number_total             5110
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv6373.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C30 H24 O2 '
_cod_database_code               2204318
_cod_database_fobs_code          2204318