Information card for entry 4113716

Structure parameters

• Formula: C18 H22 F6 Mn N4 O6 S2
• Calculated formula: C18 H22 F6 Mn N4 O6 S2
• SMILES: [Mn]123(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)[n]4ccccc4C[N]1(C)CC[N]2(C)Cc1[n]3cccc1
• Title of publication: Efficient Epoxidation of Electron-Deficient Olefins with a Cationic Manganese Complex
• Authors of publication: Andrew Murphy; Geraud Dubois; T. D. P. Stack
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5250 - 5251
• a: 9.4259 ± 0.0006 Å
• b: 17.4816 ± 0.0009 Å
• c: 30.462 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5019.5 ± 0.5 ų
• Cell temperature: 273.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.686
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No