Information card for entry 2008243

Structure parameters

• Chemical name: N^4^Anisoylcytidine Dihydrate
• Formula: C17 H23 N3 O9
• Calculated formula: C17 H23 N3 O9
• SMILES: n1(c(=O)nc(NC(=O)c2ccc(cc2)OC)cc1)[C@H]1[C@H](O)[C@H](O)[C@H](O1)CO.O.O
• Title of publication: <i>N</i>^4^-Anisoylcytidine dihydrate
• Authors of publication: S. Kolappan; T. P. Seshadri
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 391 - 392
• a: 4.851 ± 0.002 Å
• b: 13.535 ± 0.003 Å
• c: 14.013 ± 0.005 Å
• α: 90°
• β: 97.28 ± 0.01°
• γ: 90°
• Cell volume: 912.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.117
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes