Information card for entry 4134845

Structure parameters

• Formula: C19 H22 O5
• Calculated formula: C19 H22 O5
• Title of publication: The Total Synthesis of (-)-Scabrolide A.
• Authors of publication: Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 6.1878 ± 0.0004 Å
• b: 14.9676 ± 0.0014 Å
• c: 17.511 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1621.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No