Information card for entry 4312602

Structure parameters

• Formula: C28 H34 Mn N4 O4
• Calculated formula: C28 H34 Mn N4 O4
• Title of publication: Catalytic Asymmetric Sulfoxidation by Chiral Manganese Complexes: Acetylacetonate Anions as Chirality Switches
• Authors of publication: Sébastien Schoumacker; Olivier Hamelin; Jacques Pécaut; Marc Fontecave
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8110 - 8116
• a: 9.351 ± 0.002 Å
• b: 11.254 ± 0.0019 Å
• c: 14.742 ± 0.005 Å
• α: 72.693 ± 0.018°
• β: 86.45 ± 0.02°
• γ: 71.71 ± 0.02°
• Cell volume: 1405.5 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No