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Information card for entry 2004861
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| Coordinates | 2004861.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Dinaphtho[2,1-b.2',3'-d]furan-8-13-dione |
|---|---|
| Formula | C20 H10 O3 |
| Calculated formula | C20 H10 O3 |
| SMILES | c1cccc2ccc3c(c4c(C(=O)c5ccccc5C4=O)o3)c12 |
| Title of publication | A Naphthofuranoquinone |
| Authors of publication | Farrugia, L. J.; Scott, C. F.; Peacock, R. D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1310 - 1311 |
| a | 5.466 ± 0.001 Å |
| b | 6.128 ± 0.001 Å |
| c | 39.841 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1334.5 ± 0.4 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 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 all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for all reflections | 0.14 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Goodness-of-fit parameter for all reflections | 1.088 |
| Goodness-of-fit parameter for significantly intense reflections | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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