Information card for entry 4106763

Structure parameters

• Chemical name: (1SR,2SR,3SR,4RS)-4-bromo-2,4-dideoxy-5-O-(2,3-dinitrobenzoyl) -2-fluoro-1-C-phenyl-1,3-bis-O-[tris(trimethylsilyl)silyl]pentitol
• Formula: C36 H70 Br F N2 O8 Si8
• Calculated formula: C36 H70 Br F N2 O8 Si8
• SMILES: Br[C@@H](COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O)[C@H]([C@@H]([C@@H](c1ccccc1)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)F)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.Br[C@H](COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O)[C@@H]([C@H]([C@H](c1ccccc1)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)F)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Rapid, One-Pot Synthesis of β-Siloxy-α-haloaldehydes
• Authors of publication: Jakub Saadi; Matsujiro Akakura; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14248 - 14251
• a: 10.133 ± 0.004 Å
• b: 14.885 ± 0.006 Å
• c: 18.339 ± 0.008 Å
• α: 97.96 ± 0.007°
• β: 98.905 ± 0.008°
• γ: 101.953 ± 0.007°
• Cell volume: 2631.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No