Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs
Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi; Journal of the American Chemical Society 128 (2006) 16708–16719; doi:10.1021/ja066471o

data_4111292
_publ_section_title
;
 Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis)
 Characteristics and Electron-Transfer Reactivities of Their Reduced Anion
 Radicals as Separated vs Contact Ion Pairs
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16708
_journal_page_last               16719
_journal_paper_doi               10.1021/ja066471o
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         'C16 H36 N, 1.5(C8 Cl2 N2 O2)'
_chemical_formula_sum            'C28 H36 Cl3 N4 O3'
_chemical_formula_weight         582.96
_chemical_name_systematic
; 
 ? 
;
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_cell_angle_gamma                108.24(5)
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_cell_measurement_temperature    173(2)
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_cell_measurement_theta_min      2.27
_cell_volume                     1509(3)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
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_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.926
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_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       'omega-scan, full sphere'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         30.44
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_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0582P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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