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Information card for entry 2004984
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| Coordinates | 2004984.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Xanthene-9-carboxylic acid |
|---|---|
| Formula | C14 H10 O3 |
| Calculated formula | C14 H10 O3 |
| SMILES | OC(=O)C1c2ccccc2Oc2c1cccc2 |
| Title of publication | Xanthene-9-carboxylic Acid |
| Authors of publication | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 6 |
| Pages of publication | 1486 - 1488 |
| a | 16.139 ± 0.001 Å |
| b | 5.117 ± 0.001 Å |
| c | 26.887 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2220.4 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.046 |
| Goodness-of-fit parameter for significantly intense reflections | 1.32 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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