Information card for entry 4024738

Structure parameters

• Formula: C15 H22 N2 O2
• Calculated formula: C15 H22 N2 O2
• SMILES: [C@H](C(=O)Nc1cc(cc(c1)C)C)(N(C=O)C)C(C)C
• Title of publication: Asymmetric Reduction of Imines with Trichlorosilane, Catalyzed by Sigamide, an Amino Acid-Derived Formamide: Scope and Limitations
• Authors of publication: Andrei V. Malkov; Kvetoslava Vranková; Sigitas Stončius; Pavel Kočovský
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5839 - 5849
• a: 10.5722 ± 0.0003 Å
• b: 20.8611 ± 0.0006 Å
• c: 21.2475 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4686.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections: 0.1953
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No