Information card for entry 4087327

Structure parameters

• Formula: C23 H19 Br Mn O2 P
• Calculated formula: C23 H19 Br Mn O2 P
• SMILES: Br[c]12[c]34[Mn]561([P](CC(=C4)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[cH]2[cH]5[cH]36
• Title of publication: Kinetic Resolution of Planar-Chiral (η5-Bromocyclopentadienyl)manganese(I) Complexes by Molybdenum-Catalyzed Asymmetric Ring-Closing Metathesis
• Authors of publication: Ogasawara, Masamichi; Tseng, Ya-Yi; Liu, Qiang; Chang, Ninghui; Yang, Xicheng; Takahashi, Tamotsu; Kamikawa, Ken
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1430
• a: 14.2787 ± 0.0007 Å
• b: 10.5264 ± 0.0005 Å
• c: 21.8552 ± 0.001 Å
• α: 90°
• β: 105.417 ± 0.007°
• γ: 90°
• Cell volume: 3166.7 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No