Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion with a Much Longer Lifetime and Higher Energy Than That of the Natural Photosynthetic Reaction Center
Shunichi Fukuzumi; Hiroaki Kotani; Kei Ohkubo; Seiji Ogo; Nikolai V. Tkachenko; Helge Lemmetyinen; Journal of the American Chemical Society 126 (2004) 1600–1601; doi:10.1021/ja038656q

data_4112225
_publ_contact_author_address
;
    Department of Material and Life Science, Graduate School of Engineering,
 Osaka University, Suita 565-0871, Japan
;
_publ_contact_author_email       ' fukuzumi@chem.eng.osaka-u.ac.jp '
_publ_contact_author_fax         ' +81-6-6879-7370 '
_publ_contact_author_name        ' Shunichi Fukuzumi '
_publ_contact_author_phone       ' +81-6-6879-7368 '
_publ_section_title
;
 Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion with a Much
 Longer Lifetime and Higher Energy Than That of the Natural Photosynthetic
 Reaction Center
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1600
_journal_page_last               1601
_journal_paper_doi               10.1021/ja038656q
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C23 H22 Cl N O4'
_chemical_formula_weight         411.88
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             'Thu Jul 31 23:51:57 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 104.661(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.017(5)
_cell_length_b                   14.236(6)
_cell_length_c                   12.309(5)
_cell_measurement_reflns_used    4164
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2037.2(15)
_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    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9899
_diffrn_measured_fraction_theta_max 0.9899
_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  0.047
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16349
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.217
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.940
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_description       Block
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.65
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4625
_refine_ls_R_factor_gt           0.0617
_refine_ls_shift/su_max          0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.07500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1687
_reflns_number_gt                2809
_reflns_number_total             4625
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja038656qsi20030922_120421.cif
_cod_data_source_block           '_[C23H22N]ClO4'
_cod_original_cell_volume        2037(1)
_cod_original_formula_sum        'C23 H22 Cl N O4 '
_cod_database_code               4112225