Information card for entry 4110328

Structure parameters

• Formula: C72 H160 N4 O10 S2 Si16
• Calculated formula: C72 H160 N4 O10 S2 Si16
• SMILES: [C@H](C1CCCCC1)(C[C@@H](CC=NNS(=O)(=O)c1ccc(cc1)OC)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.[C@@H](C1CCCCC1)(C[C@H](CC=NNS(=O)(=O)c1ccc(cc1)OC)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: 10.08 ± 0.003 Å
• b: 22.194 ± 0.006 Å
• c: 26.478 ± 0.007 Å
• α: 66.357 ± 0.004°
• β: 89.047 ± 0.005°
• γ: 88.998 ± 0.005°
• Cell volume: 5425 ± 3 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: 0.1683
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.2316
• Weighted residual factors for all reflections included in the refinement: 0.2612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No