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Information card for entry 4000676
Preview
| Coordinates | 4000676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H26 |
|---|---|
| Calculated formula | C42 H26 |
| SMILES | c1ccc(cc1)[C@]12c3ccccc3c3c2c2[C@](c4c1cccc4)(c1ccccc1)c1c(c2c2c3cccc2)cccc1 |
| Title of publication | Field Effect Studies on Rubrene and Impurities of Rubrene |
| Authors of publication | Roswitha Zeis; Celine Besnard; Theo Siegrist; Carl Schlockermann; Xiaoliu Chi; Christian Kloc |
| Journal of publication | Chem. Mater. |
| Year of publication | 2006 |
| Journal volume | 18 |
| Journal issue | 2 |
| Pages of publication | 244 - 248 |
| a | 10.315 ± 0.004 Å |
| b | 12.055 ± 0.004 Å |
| c | 12.583 ± 0.005 Å |
| α | 92.83 ± 0.03° |
| β | 84.46 ± 0.03° |
| γ | 116.99 ± 0.04° |
| Cell volume | 1387.7 ± 1 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2876 |
| Residual factor for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections | 0.1806 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1536 |
| 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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