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Information card for entry 2200415
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| Coordinates | 2200415.cif |
|---|---|
| Structure factors | 2200415.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone |
|---|---|
| Formula | C18 H12 O4 |
| Calculated formula | C18 H12 O4 |
| SMILES | OC1=C(c2ccccc2)C(=O)C(=C(C1=O)c1ccccc1)O |
| Title of publication | 2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone (polyporic acid) |
| Authors of publication | Cohen, Peter A.; Robinson, Paul D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 7 |
| Pages of publication | o596 - o598 |
| a | 7.323 ± 0.003 Å |
| b | 26.98 ± 0.004 Å |
| c | 6.897 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1362.7 ± 1 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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