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Information card for entry 4033648
Preview
Coordinates | 4033648.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H16 N2 O6 Se |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/4033648.html
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