Information card for entry 1514213

Structure parameters

• Formula: C28 H44 N O11
• Calculated formula: C28 H44 N O11
• SMILES: O(C(C)(C)C)C(=O)C[C@@]1(N(O[C@H](OCC)C1)[C@H]1O[C@H]([C@@H]2OC(OC2)(C)C)[C@@H]2OC(O[C@H]12)(C)C)C(=O)OC(C)(C)C
• Title of publication: Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.
• Authors of publication: Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 1936 - 1939
• a: 26.5845 ± 0.0009 Å
• b: 9.3012 ± 0.0003 Å
• c: 14.1691 ± 0.0004 Å
• α: 90°
• β: 112.536 ± 0.002°
• γ: 90°
• Cell volume: 3236.03 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No