Information card for entry 4037960

Structure parameters

• Formula: C27 H26 N2 O7
• Calculated formula: C27 H26 N2 O7
• SMILES: [C@@H]1([C@H]2[C@@H]([C@]3([C@@H](C3)OC(=O)C(C)C)O1)OC(c1ccccc1)(c1ccccc1)O2)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: 10.75286 ± 0.00007 Å
• b: 10.8363 ± 0.00007 Å
• c: 41.113 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4790.54 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0242
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No