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Information card for entry 2202320
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| Coordinates | 2202320.cif |
|---|---|
| Structure factors | 2202320.hkl |
| Original IUCr paper | HTML |
| Formula | C10 H10 O10 |
|---|---|
| Calculated formula | C10 H10 O10 |
| SMILES | OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O.O.O |
| Title of publication | Benzene-1,2,4,5-tetracarboxylic acid dihydrate at 160K |
| Authors of publication | Dale, Sophie H.; Elsegood, Mark R. J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 8 |
| Pages of publication | o1087 - o1088 |
| a | 5.4651 ± 0.0006 Å |
| b | 6.4044 ± 0.0007 Å |
| c | 9.1145 ± 0.0011 Å |
| α | 71.941 ± 0.003° |
| β | 88.612 ± 0.003° |
| γ | 72.933 ± 0.003° |
| Cell volume | 289.16 ± 0.06 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 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 | 0.0378 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
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