Information card for entry 4033648

Structure parameters

• Formula: C10 H16 N2 O6 Se
• Calculated formula: C10 H16 N2 O6 Se
• SMILES: O=C1N(C=CC(=O)N1)[C@@H]1[Se][C@@H]([C@@H](O)[C@]1(O)C)CO.O
• Title of publication: Asymmetric Synthesis of 2'-<i>C</i>-Methyl-4'-selenonucleosides as Anti-Hepatitis C Virus Agents.
• Authors of publication: Lee, Hyejin; Jarhad, Dnyandev B.; Yu, Jinha; Lee, Choongho; Jeong, Lak Shin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 6.7185 ± 0.00004 Å
• b: 7.05778 ± 0.00004 Å
• c: 27.0126 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1280.88 ± 0.014 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0181
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No