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Information card for entry 4106763
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Coordinates | 4106763.cif |
---|---|
Original paper (by DOI) | HTML |
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 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/4106763.html
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