Information card for entry 2228748

Structure parameters

• Chemical name: 1-(2-Bromo-2-deoxy-β-D-xylofuranosyl)uracil
• Formula: C9 H11 Br N2 O5
• Calculated formula: C9 H11 Br N2 O5
• SMILES: Br[C@H]1[C@H](N2C(=O)NC(=O)C=C2)O[C@@H]([C@H]1O)CO
• Title of publication: 1-(2-Bromo-2-deoxy-β-<small>D</small>-xylofuranosyl)uracil
• Authors of publication: Zhou, Zhong-Gao; Fu, Shun-Guo; Lai, Wu-Leng; Wang, Chun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o111
• a: 4.8444 ± 0.0003 Å
• b: 12.7237 ± 0.001 Å
• c: 17.4388 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074.9 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes