Information card for entry 7217012

Structure parameters

• Formula: C10 H12 N2 O5
• Calculated formula: C10 H12 N2 O5
• SMILES: O=C1NC(=O)C=C2N1[C@@H]1O[C@H]([C@@H]2CO)[C@@H](O)C1
• Title of publication: The synthesis and structural characterization of both diastereomers of 5’-(hydroxymethyl)-6,5’-cyclo-2’,5’-dideoxyuridine cyclonucleosides
• Authors of publication: Yu, Hongchuan; Schlegel, Mark K.; McLaughlin, Larry W.
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 7.8546 ± 0.0006 Å
• b: 5.0786 ± 0.0004 Å
• c: 12.4411 ± 0.0009 Å
• α: 90°
• β: 102.701 ± 0.005°
• γ: 90°
• Cell volume: 484.14 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0297
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No