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Information card for entry 7226663
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| Coordinates | 7226663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Clevudine (Form 2) |
|---|---|
| Chemical name | 1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione |
| Formula | C10 H13 F N2 O5 |
| Calculated formula | C10 H13 F N2 O5 |
| SMILES | F[C@@H]1[C@@H](O)[C@@H](O[C@@H]1N1C=C(C(=O)NC1=O)C)CO |
| Title of publication | Polymorphism of the antiviral agent clevudine |
| Authors of publication | Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 42 |
| Pages of publication | 8172 |
| a | 8.9716 ± 0.0009 Å |
| b | 5.3099 ± 0.0005 Å |
| c | 11.8624 ± 0.0011 Å |
| α | 90° |
| β | 105.98 ± 0.002° |
| γ | 90° |
| Cell volume | 543.27 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226663.cif |
| 188106 | 2016-11-08 | cif/ Updating files of 7226662, 7226663, 7226664 Original log message: Adding full bibliography for 7226662--7226664.cif. |
7226663.cif |
| 186812 | 2016-09-28 | cif/ Adding structures of 7226662, 7226663, 7226664 via cif-deposit CGI script. |
7226663.cif |
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Users of the data should acknowledge the original authors of the
structural data.