Information card for entry 2201230

Structure parameters

• Chemical name: 4-(R)-[4-amino-2,6-dioxopyrimidine-1-yl]-3(S)-hydroxy-2(R)-furan methanol solvate
• Formula: C10 H17 N3 O6
• Calculated formula: C9.9997 H16.9989 N3 O5.9997
• Title of publication: Tautomeric 6-oxoisocytidine (methanol solvate)
• Authors of publication: Swenson, Dale C.; Bera ,Sanjib; Nair, Vasu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o1031 - o1033
• a: 6.7571 ± 0.0014 Å
• b: 12.43 ± 0.003 Å
• c: 28.88 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2425.7 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No