Information card for entry 4110329

Structure parameters

• Formula: C34 H78 N2 O5 S Si8
• Calculated formula: C34 H78 N2 O5 S Si8
• SMILES: c1(ccc(cc1)OC)S(=O)(=O)N/N=C/C[C@@H](C[C@@H](C(C)(C)C)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.c1(ccc(cc1)OC)S(=O)(=O)N/N=C/C[C@H](C[C@H](C(C)(C)C)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: 9.703 ± 0.002 Å
• b: 14.181 ± 0.004 Å
• c: 20.077 ± 0.005 Å
• α: 73.779 ± 0.004°
• β: 88.715 ± 0.005°
• γ: 75.953 ± 0.004°
• Cell volume: 2570.2 ± 1.1 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: 0.0846
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No