Information card for entry 1514211

Structure parameters

• Formula: C23 H35 N O5
• Calculated formula: C23 H35 N O5
• SMILES: O=C(OC)C(=N(=O)[C@@H](c1c(C(C)C)cc(C(C)C)cc1C(C)C)C)CC(=O)OC
• 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: 15.553 ± 0.005 Å
• b: 9.326 ± 0.005 Å
• c: 32.444 ± 0.005 Å
• α: 90°
• β: 94.255 ± 0.005°
• γ: 90°
• Cell volume: 4693 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No