Information card for entry 4120467

Structure parameters

• Formula: C38 H76 O3 Si8
• Calculated formula: C38 H76 O3 Si8
• SMILES: [Si]([Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)O[C@H]([C@H]1[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[C@H]([C@@H](O)c2ccccc2)CCC1)c1ccccc1.[Si]([Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)O[C@@H]([C@@H]1[C@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[C@@H]([C@H](O)c2ccccc2)CCC1)c1ccccc1
• 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: 9.3625 ± 0.001 Å
• b: 15.5302 ± 0.0016 Å
• c: 19.15 ± 0.002 Å
• α: 106.249 ± 0.008°
• β: 100.111 ± 0.007°
• γ: 103.789 ± 0.007°
• Cell volume: 2507 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No