Efficient Epoxidation of Electron-Deficient Olefins with a Cationic Manganese Complex
Andrew Murphy; Geraud Dubois; T. D. P. Stack; Journal of the American Chemical Society 125 (2003) 5250–5251; doi:10.1021/ja029962r

data_4113715
_publ_section_title
;
 Efficient Epoxidation of Electron-Deficient Olefins with a Cationic
 Manganese Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5250
_journal_page_last               5251
_journal_paper_doi               10.1021/ja029962r
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C22 H28 F6 N4 Mn O6 S2 '
_chemical_formula_sum            'C22 H28 F6 Mn N4 O6 S2'
_chemical_formula_weight         677.53
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_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.871(2)
_cell_angle_gamma                90
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_cell_length_b                   9.7740(6)
_cell_length_c                   16.2918(8)
_cell_measurement_temperature    273.1
_cell_volume                     1418.43(14)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_measured_fraction_theta_full 0.9632
_diffrn_measured_fraction_theta_max 0.9632
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.060
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_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_exptl_absorpt_coefficient_mu    0.696
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'pale brown'
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_exptl_crystal_description       'rectangular plate'
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_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.86
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_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  1708 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.904
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     399
_refine_ls_number_reflns         4192
_refine_ls_R_factor_gt           0.0450
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_original_cell_volume        1418.4(1)
_cod_original_formula_sum        'C22 H28 F6 N4 Mn O6 S2 '
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