Information card for entry 4109694

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: 6.9589 ± 0.0005 Å
• b: 9.7764 ± 0.0007 Å
• c: 16.7107 ± 0.0013 Å
• α: 90°
• β: 90.564 ± 0.003°
• γ: 90°
• Cell volume: 1136.82 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No