Information card for entry 4109158

Structure parameters

• Formula: C42 H85 N2 O5 S Si8
• Calculated formula: C42 H85 N2 O5 S Si8
• SMILES: COc1ccc(cc1)S(=O)(=O)N/N=C1\CCCC[C@@H]1[C@@H](C[C@@H]([C@@H](C)c1ccccc1)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=C1\CCCC[C@H]1[C@H](C[C@H]([C@H](C)c1ccccc1)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: "Super Silyl" Group for Diastereoselective Sequential Reactions: Access to Complex Chiral Architecture in One Pot
• Authors of publication: Matthew B. Boxer; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2762 - 2763
• a: 21.62 ± 0.006 Å
• b: 21.642 ± 0.006 Å
• c: 25.73 ± 0.007 Å
• α: 87.146 ± 0.005°
• β: 67.582 ± 0.005°
• γ: 63.125 ± 0.005°
• Cell volume: 9817 ± 5 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: 0.1816
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.2754
• Weighted residual factors for all reflections included in the refinement: 0.3077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No