Information card for entry 2001311

Structure parameters

• Common name: β-cytidine
• Chemical name: 4-amino-1-β-D-ribofuranosyl-2(1H)-pyrimidinone
• Formula: C9 H13 N3 O5
• Calculated formula: C9 H13 N3 O5
• SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N
• Title of publication: β-Cytidine, C~9~H~13~N~3~O~5~
• Authors of publication: Ward, D. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1789 - 1792
• a: 13.98 ± 0.004 Å
• b: 14.788 ± 0.003 Å
• c: 5.119 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1058.3 ± 0.7 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 1.28
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No