Information card for entry 7158994

Structure parameters

• Formula: C10 H15 F O3
• Calculated formula: C10 H15 F O3
• SMILES: F[C@H]1[C@@H](O)[C@@H]2OC(O[C@@H]2[C@H]1C=C)(C)C
• Title of publication: Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues
• Authors of publication: Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 7.6334 ± 0.0003 Å
• b: 5.7702 ± 0.0002 Å
• c: 11.1406 ± 0.0005 Å
• α: 90°
• β: 100.426 ± 0.001°
• γ: 90°
• Cell volume: 482.6 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No