Information card for entry 7106932

Structure parameters

• Formula: C28 H31 Cl2 Mn N5
• Calculated formula: C28 H31 Cl2 Mn N5
• SMILES: [Mn]123(Cl)(Cl)[n]4cccc5cccc([N]1(C)[C@H]1CCCC[C@@H]1[N]2(C)c1cccc2ccc[n]3c12)c45.N#CC
• Title of publication: Practical manganese-catalysed highly enantioselective cis-dihydroxylation of electron-deficient alkenes and detection of a cis-dioxomanganese(V) intermediate by high resolution ESI-MS analysis
• Authors of publication: Wai-Shan Chow; Yungen Liu; Chi-Ming Che
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11204
• a: 11.3578 ± 0.0013 Å
• b: 8.7479 ± 0.001 Å
• c: 14.5673 ± 0.0017 Å
• α: 90°
• β: 103.89 ± 0.002°
• γ: 90°
• Cell volume: 1405 ± 0.3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No