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Information card for entry 2010340
Preview
| Coordinates | 2010340.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C20 H24 Cl3 N3 O6 |
|---|---|
| Calculated formula | C20 H24 Cl3 N3 O6 |
| SMILES | ClC(Cl)Cl.OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(nc1=O)Oc1c(C)cc(cc1C)NC(=O)C |
| Title of publication | A deoxyuridine derivative |
| Authors of publication | Bolte, M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 12 |
| Pages of publication | 2045 - 2047 |
| a | 6.592 ± 0.001 Å |
| b | 9.831 ± 0.001 Å |
| c | 18.053 ± 0.001 Å |
| α | 90° |
| β | 97 ± 0.01° |
| γ | 90° |
| Cell volume | 1161.2 ± 0.2 Å3 |
| Cell temperature | 293 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 significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Goodness-of-fit parameter for significantly intense reflections | 2.29 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.