Information card for entry 2017612

Structure parameters

• Chemical name: 1-(β-D-Erythrofuranosyl)adenosine
• Formula: C9 H11 N5 O3
• Calculated formula: C9 H11 N5 O3
• SMILES: O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c1ncnc2N
• Title of publication: 1-(β-<small>D</small>-Erythrofuranosyl)adenosine
• Authors of publication: Kline, Paul C.; Zhao, Hongqiu; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o215 - o218
• a: 4.793 ± 0.003 Å
• b: 11.365 ± 0.007 Å
• c: 36.79 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2004 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes