Information card for entry 2208540

Structure parameters

• Chemical name: 2-Deoxy-2-fluoro-2-C-methyl-D-ribono-1,4-lactone
• Formula: C6 H9 F O4
• Calculated formula: C6 H9 F O4
• SMILES: [C@@]1([C@@H]([C@H](OC1=O)CO)O)(F)C
• Title of publication: 2-Deoxy-2-fluoro-2-<i>C</i>-methyl-<small>D</small>-ribono-1,4-lactone (fluoromethylrib)
• Authors of publication: Parker, Samuel; Watkin, David; Mayes, Benjamin; Storer, Richard; Jenkinson, Sarah; Fleet, George
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1208 - o1210
• a: 7.357 ± 0.0002 Å
• b: 8.2864 ± 0.0002 Å
• c: 11.7886 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 718.67 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0295
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes