Information card for entry 4022768

Structure parameters

• Formula: C15 H20 O5
• Calculated formula: C15 H20 O5
• SMILES: O=C1OC[C@@H]2[C@]1(C=O)CCC(=C2C)[C@H]1OC(OC1)(C)C
• Title of publication: Studies on the Synthesis of (-)-Gymnodimine. Subunit Synthesis and Coupling
• Authors of publication: James D. White; Laura Quaranta; Guoqiang Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1717 - 1728
• a: 9.378 ± 0.0011 Å
• b: 10.968 ± 0.0012 Å
• c: 13.966 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1436.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 3
• 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: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No