Information card for entry 4115782

Structure parameters

• Formula: C12 H16 O5
• Calculated formula: C12 H16 O5
• SMILES: O[C@H]1[C@@H]2O[C@@H]2C(=O)C2=C1[C@@H](O)[C@@H](OC2)CCC
• Title of publication: Total Synthesis of the NF-κB Inhibitor (-)-Cycloepoxydon: Utilization of Tartrate-Mediated Nucleophilic Epoxidation
• Authors of publication: Chaomin Li; Emily A. Pace; Mei-Chih Liang; Emil Lobkovsky; Thomas D. Gilmore; John A. Porco
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11308 - 11309
• a: 7.1459 ± 0.001 Å
• b: 4.5094 ± 0.0007 Å
• c: 17.904 ± 0.003 Å
• α: 90°
• β: 92.89 ± 0.005°
• γ: 90°
• Cell volume: 576.2 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No