Information card for entry 2202418

Structure parameters

• Chemical name: 1-(2',3'-Anhydro-5'-O-benzoyl-β-D-lyxofuranoyl)-5-fluorouracil
• Formula: C16 H13 F N2 O6
• Calculated formula: C16 H13 F N2 O6
• SMILES: FC1=CN([C@@H]2O[C@@H]([C@@H]3O[C@H]23)COC(=O)c2ccccc2)C(=O)NC1=O
• Title of publication: 1-(2',3'-Anhydro-5'-<i>O</i>-benzoyl-β-<small>D</small>-lyxofuransoyl)-5-fluorouracil
• Authors of publication: Wagner, Timothy R.; Gadikota, Rajendrakumar Reddy; Callam, Christopher S.; Lowary, Todd L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1063 - o1065
• a: 7.3537 ± 0.0008 Å
• b: 5.5149 ± 0.0008 Å
• c: 19.29 ± 0.002 Å
• α: 90°
• β: 100.928 ± 0.009°
• γ: 90°
• Cell volume: 768.12 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes