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Information card for entry 2008455
Preview
| Coordinates | 2008455.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 6,11-Dihydroxy-1,4-methano-1,4,4a-tetrahydronaphthacene-5,12-dione |
|---|---|
| Formula | C19 H14 O4 |
| Calculated formula | C19 H14 O4 |
| SMILES | Oc1c2c(c(O)c3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@@H]4C(=O)c13)C5)cccc2 |
| Title of publication | 6,11-Dihydroxy-1,4-methano-1,4,4a,12a-tetrahydronaphthacene-5,12-dione |
| Authors of publication | Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Sujit Kumar Ghorai; Nirmal Kumar Hazra; Gur Dayal Nigam |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 5 |
| Pages of publication | 776 - 778 |
| a | 10.2782 ± 0.0001 Å |
| b | 11.4269 ± 0.0002 Å |
| c | 13.5079 ± 0.0002 Å |
| α | 96.11 ± 0.01° |
| β | 99.224 ± 0.001° |
| γ | 113.462 ± 0.001° |
| Cell volume | 1410.87 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1033 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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