Information card for entry 4105554

Structure parameters

• Formula: C20 H18 N2 O5
• Calculated formula: C20 H18 N2 O5
• SMILES: C1(=O)c2ccccc2C(=O)N1C[C@@](C)(C=C)[C@@H](c1ccc(cc1)N(=O)=O)O.C1(=O)c2ccccc2C(=O)N1C[C@](C)(C=C)[C@H](c1ccc(cc1)N(=O)=O)O
• Title of publication: Amplification of Anti-Diastereoselectivity via Curtin-Hammett Effects in Ruthenium-Catalyzed Hydrohydroxyalkylation of 1,1-Disubstituted Allenes: Diastereoselective Formation of All-Carbon Quaternary Centers
• Authors of publication: Jason R. Zbieg; Emma L. McInturff; Joyce C. Leung; Michael J. Krische
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1141 - 1144
• a: 7.3019 ± 0.0006 Å
• b: 9.615 ± 0.009 Å
• c: 13.028 ± 0.002 Å
• α: 75.958 ± 0.005°
• β: 75.473 ± 0.005°
• γ: 80.71 ± 0.006°
• Cell volume: 854 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.2202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No