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Information card for entry 7226664
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| Coordinates | 7226664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Clevudine (Form 3) |
|---|---|
| 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 | N1([C@H]2O[C@H]([C@@H]([C@H]2F)O)CO)C(=O)NC(=O)C(=C1)C |
| 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 | 10.4391 ± 0.0013 Å |
| b | 16.017 ± 0.002 Å |
| c | 13.8687 ± 0.0018 Å |
| α | 90° |
| β | 101.604 ± 0.002° |
| γ | 90° |
| Cell volume | 2271.5 ± 0.5 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 | 0.0419 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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. |
7226664.cif |
| 188106 | 2016-11-08 | cif/ Updating files of 7226662, 7226663, 7226664 Original log message: Adding full bibliography for 7226662--7226664.cif. |
7226664.cif |
| 186812 | 2016-09-28 | cif/ Adding structures of 7226662, 7226663, 7226664 via cif-deposit CGI script. |
7226664.cif |
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Users of the data should acknowledge the original authors of the
structural data.