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Information card for entry 2005085
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| Coordinates | 2005085.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Anthracene-1,8-dicarboxylic acid |
|---|---|
| Chemical name | anthracene-1,8-dicarboxylic acid |
| Formula | C16 H10 O4 |
| Calculated formula | C16 H10 O4 |
| SMILES | OC(=O)c1cccc2c1cc1c(c2)cccc1C(=O)O |
| Title of publication | Anthracene-1,8-dicarboxylic Acid |
| Authors of publication | Fitzgerald, L. J.; Gerkin, R. E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1838 - 1841 |
| a | 10.646 ± 0.003 Å |
| b | 16.547 ± 0.002 Å |
| c | 6.899 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1215.3 ± 0.6 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Goodness-of-fit parameter for significantly intense reflections | 1.39 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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