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Information card for entry 2005113
Preview
| Coordinates | 2005113.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 5'-O-Benzoyl-3'-deoxy-2'-keto-alpha-uridine |
|---|---|
| Formula | C16 H14 N2 O6 |
| Calculated formula | C16 H14 N2 O6 |
| SMILES | O1[C@@H](C(=O)C[C@H]1COC(=O)c1ccccc1)N1C(=O)NC(=O)C=C1 |
| Title of publication | 5'-<i>O</i>-Benzoyl-2',3'-dideoxy-2'-oxo-α-uridine |
| Authors of publication | Suresh, C. G.; Sakthivel, K.; Pathak, T. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1776 - 1779 |
| a | 20.337 ± 0.003 Å |
| b | 5.8139 ± 0.0006 Å |
| c | 13.362 ± 0.002 Å |
| α | 90° |
| β | 105.97 ± 0.02° |
| γ | 90° |
| Cell volume | 1518.9 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0823 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for all reflections | 0.1057 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Goodness-of-fit parameter for all reflections | 0.714 |
| Goodness-of-fit parameter for significantly intense reflections | 0.776 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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