Information card for entry 2016428

Structure parameters

• Chemical name: 5-Phenyluridine 2.06-hydrate
• Formula: C15 H17.75 N2 O9.06
• Calculated formula: C15 H17.75 N2 O9.06
• Title of publication: 5-Phenyluridine trihydrate
• Authors of publication: Pesnot, Thomas; Hughes, David L.; Wagner, Gerd K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o44 - o46
• a: 7.2144 ± 0.0003 Å
• b: 14.0623 ± 0.0006 Å
• c: 16.7536 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1699.67 ± 0.13 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes