Information card for entry 4120469

Structure parameters

• Formula: C36 H80 O3 Si8
• Calculated formula: C36 H80 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](CCC1)[C@@H](O)c1ccccc1)C(C)(C)C.[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](CCC1)[C@H](O)c1ccccc1)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: 9.8072 ± 0.0014 Å
• b: 15.361 ± 0.002 Å
• c: 18.474 ± 0.003 Å
• α: 112.146 ± 0.008°
• β: 95.528 ± 0.007°
• γ: 98.94 ± 0.007°
• Cell volume: 2509.7 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No