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Information card for entry 2202262
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| Coordinates | 2202262.cif |
|---|---|
| Structure factors | 2202262.hkl |
| Original IUCr paper | HTML |
| Common name | Hydrindantin |
|---|---|
| Chemical name | 2,2'-Dihydroxy-[2,2'-bi-1H-indene]-1,1',3,3'-(2H,2'H)-tetrone dihydrate |
| Formula | C18 H14 O8 |
| Calculated formula | C18 H14 O8 |
| SMILES | O=C1c2ccccc2C(=O)C1(O)C1(O)C(=O)c2c(C1=O)cccc2.O.O |
| Title of publication | 2,2'-Dihydroxy-[2,2'-bi-1<i>H</i>-indene]-1,1',3,3'-(2<i>H</i>,2'<i>H</i>)-tetrone dihydrate |
| Authors of publication | Daniel E. Lynch |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 8 |
| Pages of publication | o1133 - o1134 |
| a | 8.4479 ± 0.0004 Å |
| b | 12.4759 ± 0.0006 Å |
| c | 7.9293 ± 0.0004 Å |
| α | 90° |
| β | 100.634 ± 0.003° |
| γ | 90° |
| Cell volume | 821.36 ± 0.07 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1017 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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