Information card for entry 4115565

Structure parameters

• Formula: C14 H23 N S
• Calculated formula: C14 H23 N S
• SMILES: S=C(N[C@H](C12CC3CC(C1)CC(C2)C3)C)C
• Title of publication: Asymmetric Hydrogenation of Enamides with Rh-BisP* and Rh-MiniPHOS Catalysts. Scope, Limitations, and Mechanism
• Authors of publication: Ilya D. Gridnev; Masaya Yasutake; Natsuka Higashi; Tsuneo Imamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 5268 - 5276
• a: 10.911 ± 0.001 Å
• b: 17.975 ± 0.002 Å
• c: 6.865 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1346.4 ± 0.3 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.708
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No