Information card for entry 4108420

Structure parameters

• Formula: C20 H32 O4
• Calculated formula: C20 H32 O4
• SMILES: O=C1C[C@H](C[C@H]2OC(=O)[C@H](C)[C@@]3(O)[C@@H]2[C@](CC[C@@H](C1)C)(CC3)C)C
• Title of publication: Enantioselective Total Synthesis of Clavirolide C. Applications of Cu-Catalyzed Asymmetric Conjugate Additions and Ru-Catalyzed Ring-Closing Metathesis
• Authors of publication: M. Kevin Brown; Amir H. Hoveyda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12904 - 12906
• a: 9.328 ± 0.002 Å
• b: 10.513 ± 0.003 Å
• c: 9.388 ± 0.002 Å
• α: 90°
• β: 98.241 ± 0.004°
• γ: 90°
• Cell volume: 911.1 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0998
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No