Electrochiroptical response of a hexaarylethane derivative with a helical ??-skeleton: drastic UV???Vis and CD spectral changes upon electrolysis of 4???,5???-dibromodispiro[xanthene-9,9???(9???H,10???H)-phenanthrene-10???,9???-xanthene]
Suzuki, Takanori; Yamamoto, Rie; Higuchi, Hiroki; Hirota, Erika; Ohkita, Masakazu; Tsuji, Takashi; Journal of the Chemical Society, Perkin Transactions 2  (2002) 1937–; doi:10.1039/b204515j

data_7204447
_publ_section_title
;
 Electrochiroptical response of a hexaarylethane derivative with a
 helical ??-skeleton: drastic UV???Vis and CD spectral changes upon
 electrolysis of
 4???,5???-dibromodispiro[xanthene-9,9???(9???H,10???H)-phenanthrene-10???,9???-xanthene]
;
_journal_issue                   11
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 2'
_journal_page_first              1937
_journal_paper_doi               10.1039/b204515j
_journal_year                    2002
_chemical_formula_moiety         'C40 H28 O2 '
_chemical_formula_sum            'C40 H28 O2'
_chemical_formula_weight         540.66
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Mon Apr  8 15:46:22 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 97.049(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.059(5)
_cell_length_b                   14.309(7)
_cell_length_c                   19.109(10)
_cell_measurement_reflns_used    6588
_cell_measurement_temperature    153.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2730(2)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SAPI91
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9634
_diffrn_measured_fraction_theta_max 0.9634
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            352
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.996
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.410
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     379
_refine_ls_number_reflns         2925
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.0014
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0642
_reflns_number_gt                2925
_reflns_number_total             6033
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b204515j.txt
_cod_data_source_block           011026_1b
_cod_original_cell_volume        2729(2)
_cod_original_formula_sum        'C40 H28 O2 '
_cod_database_code               7204447