Information card for entry 7115009

Structure parameters

• Chemical name: (S)-(Methyl-phenyl-amino)-N-((S)-1-phenyl-ethyl)-butyramide
• Formula: C19 H23 N2 O
• Calculated formula: C19 H24 N2 O
• Title of publication: Catalytic enantioselective addition of aromatic amines to enones: synthesis of optically active β-amino acid derivatives
• Authors of publication: Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1240
• a: 10.329 ± 0.001 Å
• b: 10.329 ± 0.001 Å
• c: 28.108 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2597 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No