Information card for entry 1568754

Structure parameters

• Formula: C19 H26 O6
• Calculated formula: C19 H26 O6
• SMILES: O[C@]1([C@@H]2[C@@H]3[C@@H](OC(=O)[C@@H]3[C@]34[C@](O)(C[C@H]3C2=O)C[C@@H](C4)[C@@H](CO)C)C1)C
• Title of publication: Total synthesis of (-)-scabrolide A and (-)-yonarolide.
• Authors of publication: Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4745 - 4758
• a: 10.221 ± 0.003 Å
• b: 12.581 ± 0.003 Å
• c: 13.333 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1714.5 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0592
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No