Information card for entry 4022293

Structure parameters

• Formula: C14 H21 N O2
• Calculated formula: C14 H21 N O2
• SMILES: O=C1O[C@@H]2[C@H]3CC[C@@](C2=N[C@H]1CC)(C3(C)C)C
• Title of publication: Selective Synthesis of Either Enantiomer of α-Amino Acids by Switching the Regiochemistry of the Tricyclic Iminolactones Prepared from a Single Chiral Source
• Authors of publication: Peng-Fei Xu; Ta-Jung Lu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 658 - 661
• a: 6.8762 ± 0.0006 Å
• b: 9.0279 ± 0.0007 Å
• c: 21.8378 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1355.64 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No