Information card for entry 4104645

Structure parameters

• Formula: C21 H34 O4 S Si
• Calculated formula: C21 H34 O4 S Si
• SMILES: S(=O)(=O)(C1=C[C@H](O)[C@@H]([C@@H](O[Si](C(C)(C)C)(C)C)C[C@H]1C)C)c1ccccc1
• Title of publication: Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones
• Authors of publication: Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9150 - 9151
• a: 6.4091 ± 0.0005 Å
• b: 7.7404 ± 0.0007 Å
• c: 12.1635 ± 0.0012 Å
• α: 87.745 ± 0.004°
• β: 86.296 ± 0.005°
• γ: 67.756 ± 0.005°
• Cell volume: 557.27 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No