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Information card for entry 2004868
Preview
| Coordinates | 2004868.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,5-anhydro-2,3-dideoxy-2-(guanin-9-yl)-D-arabino-hexitol |
|---|---|
| Formula | C11 H15 N5 O4 |
| Calculated formula | C11 H15 N5 O4 |
| SMILES | [nH]1c(N)nc2c(c1=O)ncn2[C@H]1C[C@H](O)[C@@H](CO)OC1 |
| Title of publication | 1,5-Anhydro-2,3-dideoxy-2-(guanin-9-yl)-<small>D</small>-<i>arabino</i>-hexitol |
| Authors of publication | Declercq, R.; Herdewijn, P.; Van Meervelt, L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1213 - 1215 |
| a | 5.76 ± 0.001 Å |
| b | 11.043 ± 0.002 Å |
| c | 18.974 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1206.9 ± 0.3 Å3 |
| Cell temperature | 289 ± 2 K |
| Ambient diffraction temperature | 289 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0366 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for all reflections | 0.0968 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Goodness-of-fit parameter for all reflections | 1.086 |
| Goodness-of-fit parameter for significantly intense reflections | 1.096 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.