Information card for entry 4108419

Structure parameters

• Formula: C19 H28 O4
• Calculated formula: C19 H28 O4
• SMILES: O=C1C[C@H](C[C@H]2OC(=O)[C@H](C)[C@@]3(O)[C@@H]2[C@](CCC=C1)(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: 8.5863 ± 0.0013 Å
• b: 10.8754 ± 0.0017 Å
• c: 9.9485 ± 0.0016 Å
• α: 90°
• β: 111.535 ± 0.002°
• γ: 90°
• Cell volume: 864.1 ± 0.2 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: 0.1046
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No