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Information card for entry 2006520
Preview
| Coordinates | 2006520.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C14 H12 N2 O2 |
|---|---|
| Calculated formula | C14 H12 N2 O2 |
| SMILES | O=C1N2n3cccc3[C@@H](O)C[C@H]2c2ccccc12.O=C1N2n3cccc3[C@H](O)C[C@@H]2c2ccccc12 |
| Title of publication | <i>cis</i>-6,10b,11,12-Tetrahydro-12-hydroxypyrrolo[1',2':2,3]pyridazino[6,1-<i>a</i>]isoindol-6-one |
| Authors of publication | Kožíšek, Jozef; Ingrid Svoboda; Štefan Marchalín; Bernard Decroix |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 1362 - 1363 |
| a | 8.386 ± 0.002 Å |
| b | 8.149 ± 0.002 Å |
| c | 17.267 ± 0.004 Å |
| α | 90° |
| β | 99.04 ± 0.04° |
| γ | 90° |
| Cell volume | 1165.3 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0364 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for all reflections | 0.0898 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Goodness-of-fit parameter for all reflections | 1.045 |
| Goodness-of-fit parameter for significantly intense reflections | 1.046 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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