Information card for entry 4114265

Structure parameters

• Common name: 02286vv
• Formula: C12 H15 N O4
• Calculated formula: C12 H15 N O4
• SMILES: O1C(=O)N2[C@@H](C1)CC[C@@]13O[C@@H](CC1)CC(=O)[C@H]23
• Title of publication: Stereoselective Intramolecular [4 + 3] Cycloadditions of Nitrogen-Stabilized Chiral Oxyallyl Cations via Epoxidation of N-Tethered Allenamides
• Authors of publication: Hui Xiong; Jian Huang; Sunil K. Ghosh; Richard P. Hsung
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12694 - 12695
• a: 6.8 ± 0.002 Å
• b: 9.819 ± 0.002 Å
• c: 16.63 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1110.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No