Information card for entry 1534349

Structure parameters

• Common name: 1,2,3-triol
• Chemical name: (3R,4S,5S)-4-benzyloxy-2,2-dimethyl-5-tris(trimethylsilyl)siloxy-6-phenylhex-1-en-3-ol
• Formula: C30 H54 O3 Si4
• Calculated formula: C30 H54 O3 Si4
• SMILES: [Si]([Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)O[C@H]([C@@H](OCc1ccccc1)[C@H](O)C(C)(C)C)Cc1ccccc1.[Si]([Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)O[C@@H]([C@H](OCc1ccccc1)[C@@H](O)C(C)(C)C)Cc1ccccc1
• Title of publication: A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols
• Authors of publication: Gati, Wafa; Yamamoto, Hisashi
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 394
• a: 11.113 ± 0.003 Å
• b: 35.197 ± 0.009 Å
• c: 9.482 ± 0.003 Å
• α: 90°
• β: 102.084 ± 0.007°
• γ: 90°
• Cell volume: 3626.6 ± 1.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No