Information card for entry 4024739

Structure parameters

• Formula: C16 H24 N2 O2
• Calculated formula: C16 H24 N2 O2
• SMILES: C(C(C)(C)C)(C(=O)Nc1cc(cc(c1)C)C)N(C=O)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: 12.1625 ± 0.0006 Å
• b: 9.7135 ± 0.0005 Å
• c: 14.2905 ± 0.0006 Å
• α: 90°
• β: 109.154 ± 0.003°
• γ: 90°
• Cell volume: 1594.82 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No