Information card for entry 4120468

Structure parameters

• Formula: C35 H78 O3 Si8
• Calculated formula: C35 H78 O3 Si8
• SMILES: [Si]([Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)O[C@H]1[C@@H](CC[C@@H]1[C@H](O)c1ccccc1)[C@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C.[Si]([Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)O[C@@H]1[C@H](CC[C@H]1[C@@H](O)c1ccccc1)[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C
• Title of publication: Intermolecular/Intramolecular sequential aldol reaction.
• Authors of publication: Izumiseki, Atsuto; Yamamoto, Hisashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 4
• Pages of publication: 1308 - 1311
• a: 9.645 ± 0.008 Å
• b: 14.612 ± 0.011 Å
• c: 34.8 ± 0.03 Å
• α: 90°
• β: 95.245 ± 0.01°
• γ: 90°
• Cell volume: 4884 ± 7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No