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Information card for entry 2008314
Preview
| Coordinates | 2008314.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 8-Hydroxy-1,2,3-trimethoxybenz[a]anthracene-7,12-dione |
|---|---|
| Formula | C21 H16 O6 |
| Calculated formula | C21 H16 O6 |
| SMILES | O(c1c(OC)c(OC)cc2ccc3C(=O)c4c(O)cccc4C(=O)c3c12)C |
| Title of publication | A new strained angularly fused ring system: 8-hydroxy-1,2,3-trimethoxybenz[<i>a</i>]anthracene-7,12-dione |
| Authors of publication | Ilia A. Guzei; Alex Melekhov; George A. Kraus |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | 620 - 622 |
| a | 7.5766 ± 0.0006 Å |
| b | 9.6207 ± 0.0007 Å |
| c | 11.2537 ± 0.0009 Å |
| α | 89.227 ± 0.001° |
| β | 85.764 ± 0.001° |
| γ | 82.531 ± 0.001° |
| Cell volume | 811.12 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.063 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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