Information card for entry 4110330

Structure parameters

• Formula: C39 H80 N2 O6 S Si8
• Calculated formula: C39 H80 N2 O6 S Si8
• SMILES: COc1ccc(cc1)S(=O)(=O)N/N=C/C[C@H](C[C@H]([C@@H](C)OCc1ccccc1)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.COc1ccc(cc1)S(=O)(=O)N/N=C/C[C@@H](C[C@@H]([C@H](C)OCc1ccccc1)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Tris(trimethylsilyl)silyl-Governed Aldehyde Cross-Aldol Cascade Reaction
• Authors of publication: Matthew B. Boxer; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 48 - 49
• a: 9.803 ± 0.004 Å
• b: 22.251 ± 0.009 Å
• c: 27.639 ± 0.011 Å
• α: 109.7 ± 0.007°
• β: 98.805 ± 0.007°
• γ: 91.992 ± 0.007°
• Cell volume: 5585 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No