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Information card for entry 2011292
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| Coordinates | 2011292.cif |
|---|---|
| Structure factors | 2011292.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,2'-Anhydro-5-(β-D-arabinofuranosyl)-uracil monohydrate |
|---|---|
| Formula | C9 H12 N2 O6 |
| Calculated formula | C9 H12 N2 O6 |
| SMILES | O1c2nc(=O)[nH]cc2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]12.O |
| Title of publication | Solid-state transformation of 4,2'-anhydro-5-(β-<small>D</small>-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-(β-<small>D</small>-arabinofuranosyl)uracil monohydrate |
| Authors of publication | Bats, Jan W.; Parsch, Uwe; Engels, Joachim W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 9 |
| Pages of publication | 1129 - 1131 |
| a | 6.024 ± 0.002 Å |
| b | 7.218 ± 0.003 Å |
| c | 12.357 ± 0.004 Å |
| α | 90° |
| β | 101.4 ± 0.04° |
| γ | 90° |
| Cell volume | 526.7 ± 0.3 Å3 |
| Cell temperature | 137 ± 2 K |
| Ambient diffraction temperature | 137 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.082 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.376 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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