Information card for entry 2014860

Structure parameters

• Chemical name: 7-Fluoro-2'-deoxytubercidin
• Formula: C11 H13 F N4 O3
• Calculated formula: C11 H13 F N4 O3
• SMILES: n1cnc2c(c1N)c(F)cn2[C@H]1C[C@H](O)[C@@H](CO)O1
• Title of publication: 2'-Deoxy-5-fluorotubercidin
• Authors of publication: Seela, Frank; Xu, Kui-Ying; Eickmeier, Henning
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o408 - o410
• a: 6.878 ± 0.0018 Å
• b: 10.144 ± 0.002 Å
• c: 17.283 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1205.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No