Information card for entry 2018818

Structure parameters

• Common name: 3',5'-diacetyl-O^2^,2-cyclouridine
• Chemical name: 2,2'-Anhydro-1-(2'-deoxy-3',5'-di-<i>O</i>-acety-β-<i>D</i>- arabinofuranosyl)uracil
• Formula: C13 H14 N2 O7
• Calculated formula: C13 H14 N2 O7
• SMILES: CC(=O)O[C@@H]1[C@@H](COC(=O)C)O[C@@H]2[C@H]1Oc1n2ccc(=O)n1
• Title of publication: 2,2'-Anhydro-1-(3',5'-di-<i>O</i>-acetyl-β-<small>D</small>-arabinofuranosyl)uracil, a cyclouridine nucleoside with a C4'-<i>endo</i> furanosyl conformation
• Authors of publication: Fu, Ying; He, Yin-Xia; Hou, Hong-Xia; Zhu, Wen-Bo; Li, Hu-Lin; Wu, Chao; Xian, Fang-Yan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: 282 - 284
• a: 8.1032 ± 0.0003 Å
• b: 10.0065 ± 0.0003 Å
• c: 8.8704 ± 0.0004 Å
• α: 90°
• β: 90.609 ± 0.004°
• γ: 90°
• Cell volume: 719.21 ± 0.05 ų
• Cell temperature: 294.42 ± 0.1 K
• Ambient diffraction temperature: 294.42 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No