Information card for entry 2213142

Structure parameters

• Chemical name: 2,2'-Anhydro-2'-<i>C</i>-methyl-1-(β-D-arabinofuranosyl)uracil
• Formula: C10 H12 N2 O5
• Calculated formula: C10 H12 N2 O5
• SMILES: [C@@]12([C@H](n3c(O1)nc(=O)cc3)O[C@@H]([C@H]2O)CO)C
• Title of publication: 2,2'-Anhydro-2'-<i>C</i>-methyl-1-(β-<i>D</i>-arabinofuranosyl)uracil (2,2'-anhydro-2'-<i>C</i>-methyluridine)
• Authors of publication: Jenkinson, Sarah F.; Jones, Nigel A.; Moussa, Adel; Stewart, Alistair J.; Heinz, Thomas; Fleet, George W. J.; Watkin, David J.
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2071 - o2073
• a: 8.6134 ± 0.0003 Å
• b: 7.4803 ± 0.0003 Å
• c: 8.8106 ± 0.0003 Å
• α: 90°
• β: 115.072 ± 0.0018°
• γ: 90°
• Cell volume: 514.19 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0306
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No