Information card for entry 4120470

Structure parameters

• Formula: C39 H84 O3 Si8
• Calculated formula: C39 H84 O3 Si8
• SMILES: [Si]([Si]([Si](C)(C)C)([Si](C)(C)C)O[C@H]1[C@H]([C@@H](O)c2ccccc2)CCCC[C@H]1[C@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1)(C)(C)C.[Si]([Si]([Si](C)(C)C)([Si](C)(C)C)O[C@@H]1[C@@H]([C@H](O)c2ccccc2)CCCC[C@@H]1[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1)(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: 16.947 ± 0.005 Å
• b: 23.441 ± 0.007 Å
• c: 26.008 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10332 ± 5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No