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Information card for entry 2008798
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| Coordinates | 2008798.cif |
|---|---|
| Structure factors | 2008798.hkl |
| Original IUCr paper | HTML |
| Common name | 7-Deaza-2'-deoxyisoguanosine |
|---|---|
| Formula | C11 H16 N4 O5 |
| Calculated formula | C11 H16 N4 O5 |
| SMILES | N1C(=O)N=C2C(=C1N)C=CN2[C@H]1C[C@H](O)[C@H](O1)CO.O |
| Title of publication | 7-Deaza-2'-deoxyisoguanosine adopts the form of an N1—H,2-keto tautomer |
| Authors of publication | Seela, Frank; Wei, Changfu; Reuter, Hans; Kastner, Guido |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 8 |
| Pages of publication | 1335 - 1337 |
| a | 6.804 ± 0.0008 Å |
| b | 10.0373 ± 0.001 Å |
| c | 18.682 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1275.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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