Information card for entry 4120473

Structure parameters

• Formula: C40 H78 O3 Si8
• Calculated formula: C26 H50.6667 O2 Si5.33333
• SMILES: [Si]([Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)O[C@@H]1[C@@H](C(=O)c2ccccc2)CC[C@@H]1[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[C@H](C)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: 14.981 ± 0.003 Å
• b: 17.61 ± 0.003 Å
• c: 20.61 ± 0.004 Å
• α: 90°
• β: 107.525 ± 0.008°
• γ: 90°
• Cell volume: 5184.9 ± 1.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No