Structural Implication of Oxoammonium Cations for Reversible Organic One-electron Redox Reaction to Nitroxide Radicals
Yonekuta, Yasunori; Oyaizu, Kenichi; Nishide, Hiroyuki; Chemistry Letters 36 (2007) 866–; doi:10.1246/cl.2007.866

data_8000178
_publ_section_title
;
 Structural Implication of Oxoammonium Cations for Reversible Organic
 One-electron Redox Reaction to Nitroxide Radicals
;
_journal_issue                   7
_journal_name_full               'Chemistry Letters'
_journal_page_first              866
_journal_paper_doi               10.1246/cl.2007.866
_journal_volume                  36
_journal_year                    2007
_chemical_formula_moiety         'C9 H18 N O '
_chemical_formula_sum            'C9 H18 N O'
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_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            16
_cell_length_a                   21.332(5)
_cell_length_b                   22.771(5)
_cell_length_c                   7.9362(18)
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_cell_measurement_temperature    93.1
_cell_measurement_theta_max      25.3
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_computing_cell_refinement       PROCESS-AUTO
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_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.125
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7196
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_correction_T_min  0.220
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.077
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
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_exptl_crystal_size_max          0.30
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_refine_diff_density_max         0.30
_refine_diff_density_min         -0.24
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    refall
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_refine_ls_number_reflns         713
_refine_ls_R_factor_gt           0.0643
_refine_ls_shift/su_max          0.0016
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
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_cod_original_formula_sum        'C9 H18 N O '
_cod_database_code               8000178