Information card for entry 4037961

Structure parameters

• Formula: C10 H14 N2 O6
• Calculated formula: C10 H14 N2 O6
• SMILES: [C@@H]1([C@@H]([C@@H]([C@](CO)(C)O1)O)O)N1C=CC(=O)NC1=O
• Title of publication: Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.
• Authors of publication: Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.35326 ± 0.00014 Å
• b: 5.76025 ± 0.00011 Å
• c: 11.5435 ± 0.0002 Å
• α: 90°
• β: 95.1416 ± 0.0016°
• γ: 90°
• Cell volume: 553.202 ± 0.017 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0222
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No