Significant Enhancement of Electron Transfer Reduction of NAD+ Analogues by Complexation with Scandium Ion and the Detection of the Radical Intermediate-Scandium Ion Complex
Shunichi Fukuzumi; Osamu Inada; Naoya Satoh; Tomoyoshi Suenobu; Hiroshi Imahori; Journal of the American Chemical Society 124 (2002) 9181–9188; doi:10.1021/ja0260364

data_4114998
_publ_section_title
;
 Significant Enhancement of Electron Transfer Reduction of NAD+ Analogues
 by Complexation with Scandium Ion and the Detection of the Radical
 Intermediate-Scandium Ion Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9181
_journal_page_last               9188
_journal_paper_doi               10.1021/ja0260364
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C21 H27 Cl N2 O6'
_chemical_formula_weight         438.90
_space_group_IT_number           29
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_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_c                   24.829(1)
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_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.6
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_computing_cell_refinement       PROCESS-AUTO
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_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            ja0260364_s2.cif
_cod_data_source_block           inada
_cod_original_cell_volume        4635.6(6)
_cod_original_sg_symbol_H-M      'P c a 21 '
_cod_original_formula_sum        'C42 H54 Cl2 N4 O12 '
_cod_database_code               4114998