Information card for entry 4104179

Structure parameters

• Formula: C14 H19 N O3
• Calculated formula: C14 H19 N O3
• SMILES: O=N(=O)c1ccc([C@@H](O)[C@H](C=C)C(C)(C)C)cc1.O=N(=O)c1ccc([C@H](O)[C@@H](C=C)C(C)(C)C)cc1
• Title of publication: anti-Aminoallylation of Aldehydes via Ruthenium-Catalyzed Transfer Hydrogenative Coupling of Sulfonamido Allenes: 1,2-Aminoalcohols
• Authors of publication: Eduardas Skucas; Jason R. Zbieg; Michael J. Krische
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5054 - 5055
• a: 15.7991 ± 0.0012 Å
• b: 8.3868 ± 0.0009 Å
• c: 21.179 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2806.3 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.158
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No