Information card for entry 1568762

Structure parameters

• Formula: C27 H34 O4 Si
• Calculated formula: C27 H34 O4 Si
• SMILES: [Si](c1ccccc1)(C)(C)C(=C)C[C@@H]1[C@]2(C)C[C@H]3C(=O)[C@@H]4[C@@](O)(C)C[C@@H]5OC(=O)[C@@H]([C@H]45)[C@@]23C1
• 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: 6.9085 ± 0.0014 Å
• b: 10.3765 ± 0.0019 Å
• c: 17.058 ± 0.003 Å
• α: 90°
• β: 90.92 ± 0.007°
• γ: 90°
• Cell volume: 1222.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No