Information card for entry 1514214

Structure parameters

• Formula: C14 H20 F3 N O7
• Calculated formula: C14 H20 F3 N O7
• SMILES: C(F)(F)(F)C(=O)N1O[C@@H](OCC)C[C@]1(CC(=O)O)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: 9.2339 ± 0.0008 Å
• b: 11.8223 ± 0.0011 Å
• c: 17.1508 ± 0.0015 Å
• α: 90°
• β: 98.572 ± 0.002°
• γ: 90°
• Cell volume: 1851.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1921
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No