Information card for entry 1504069

Structure parameters

• Formula: C34 H36 F6 Mn N4 O6 S2
• Calculated formula: C34 H36 F6 Mn N4 O6 S2
• SMILES: [Mn]123(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)[N]([C@@H]4CCCC[C@H]4[N]1([C@@H](c1[n]2cccc1)c1ccccc1)C)([C@H](c1ccccc1)c1[n]3cccc1)C
• Title of publication: Asymmetric epoxidation of olefins with chiral bioinspired manganese complexes.
• Authors of publication: Wu, Mei; Wang, Bin; Wang, Shoufeng; Xia, Chungu; Sun, Wei
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 3622 - 3625
• a: 15.0588 ± 0.0013 Å
• b: 15.0588 ± 0.0013 Å
• c: 15.827 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3589 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No