Information card for entry 4109691

Structure parameters

• Formula: C21 H34 O4 S Si
• Calculated formula: C21 H34 O4 S Si
• SMILES: S(=O)(=O)(C1=CC[C@H](O[Si](C(C)(C)C)(C)C)[C@@H]([C@H](O)[C@H]1C)C)c1ccccc1
• Title of publication: Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads
• Authors of publication: Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9086 - 9093
• a: 10.2444 ± 0.0014 Å
• b: 32.499 ± 0.004 Å
• c: 6.9136 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2301.8 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No