Information card for entry 7151576

Structure parameters

• Formula: C7 H9 F O4
• Calculated formula: C7 H9 F O4
• SMILES: C(=O)([C@]1(C[C@H]1COC(=O)C)F)O.C(=O)([C@@]1(C[C@@H]1COC(=O)C)F)O
• Title of publication: Synthesis and antiviral activity of monofluorinated cyclopropanoid nucleosides.
• Authors of publication: Rosen, Thomas C.; De Clercq, Erik; Balzarini, Jan; Haufe, Günter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 229 - 237
• a: 10.12 ± 0.001 Å
• b: 7.299 ± 0.001 Å
• c: 10.965 ± 0.001 Å
• α: 90°
• β: 98.76 ± 0.01°
• γ: 90°
• Cell volume: 800.49 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No