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Information card for entry 2008354
Preview
| Coordinates | 2008354.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione |
|---|---|
| Formula | C16 H13 N O2 S |
| Calculated formula | C16 H13 N O2 S |
| SMILES | C1(=O)C(=CC(=O)c2c1c(c1ccccc1n2)C)SCC |
| Title of publication | 2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione and 9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione |
| Authors of publication | Baker, L.-J.; Clark, George R.; Copp, Brent R.; Hansen, Richard P.; Squire, Christopher J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | 634 - 636 |
| a | 7.736 ± 0.006 Å |
| b | 11.69 ± 0.004 Å |
| c | 14.704 ± 0.005 Å |
| α | 82.58 ± 0.04° |
| β | 79.28 ± 0.04° |
| γ | 88.56 ± 0.04° |
| Cell volume | 1295.6 ± 1.2 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.092 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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