Information card for entry 4033649

Structure parameters

• Formula: C11 H14 Cl N5 O3 Se
• Calculated formula: C11 H14 Cl N5 O3 Se
• SMILES: [Se]1[C@@H](n2c3nc(nc(Cl)c3nc2)N)[C@](O)([C@H](O)[C@H]1CO)C
• 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: 7.515 ± 0.0001 Å
• b: 7.7136 ± 0.0001 Å
• c: 24.1346 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1399.03 ± 0.03 ų
• Cell temperature: 292.82 ± 0.1 K
• Ambient diffraction temperature: 292.82 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0241
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No