Information card for entry 4102825

Structure parameters

• Formula: C101 H180 F12 Mn2 N4 O12 Sb2
• Calculated formula: C101 H180 F12 Mn2 N4 O12 Sb2
• Title of publication: Mechanism of the Enantioselective Oxidation of Racemic Secondary Alcohols Catalyzed by Chiral Mn(III)-Salen Complexes
• Authors of publication: M. Kevin Brown; Megan M. Blewett; James R. Colombe; E. J. Corey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11165 - 11170
• a: 9.7378 ± 0.0012 Å
• b: 16.16 ± 0.002 Å
• c: 19.357 ± 0.002 Å
• α: 74.762 ± 0.004°
• β: 78.464 ± 0.004°
• γ: 87.099 ± 0.004°
• Cell volume: 2879.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No