Information card for entry 1506182

Structure parameters

• Formula: C11 H15 N5 O5
• Calculated formula: C11 H15 N5 O5
• SMILES: c1(c(n(cn1)[C@H]1[C@@H]([C@H](O)[C@H](O1)CO)O)N)c1noc(C)n1
• Title of publication: N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.
• Authors of publication: Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 20
• Pages of publication: 4565 - 4568
• a: 6.1879 ± 0.0006 Å
• b: 6.6386 ± 0.0006 Å
• c: 30.879 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1268.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.032
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No