Information card for entry 1568759

Structure parameters

• Formula: C25 H38 O4 Si
• Calculated formula: C25 H38 O4 Si
• SMILES: [C@]1(C)(O[Si](C)(C)C(C)(C)C)C[C@@H]2OC(=O)[C@]34[C@](O)(C)C[C@H](C(=C)C)CC3=CC=C1[C@H]24
• 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: 6.3347 ± 0.0003 Å
• b: 12.3768 ± 0.0005 Å
• c: 30.9537 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2426.87 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0341
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No