Information card for entry 1568757

Structure parameters

• Formula: C24 H30 O4 Si
• Calculated formula: C24 H30 O4 Si
• SMILES: [Si](c1ccccc1)(C)(C)[C@]12C[C@H]3C(=O)[C@@H]4[C@](C)(O)C[C@H]5[C@@H]4[C@H](C(=O)O5)[C@]13CCC2
• 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: 6.7649 ± 0.0005 Å
• b: 10.9273 ± 0.0009 Å
• c: 14.4629 ± 0.0014 Å
• α: 90°
• β: 103.394 ± 0.005°
• γ: 90°
• Cell volume: 1040.05 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0893
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No