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Information card for entry 1547292
Preview
| Coordinates | 1547292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H16 F4 |
|---|---|
| Calculated formula | C28 H16 F4 |
| SMILES | Fc1ccc(C(=C=C=C(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1 |
| Title of publication | Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes |
| Authors of publication | Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2017 |
| Journal volume | 121 |
| Journal issue | 39 |
| Pages of publication | 21262 |
| a | 9.6393 ± 0.0009 Å |
| b | 9.6969 ± 0.0009 Å |
| c | 11.313 ± 0.0011 Å |
| α | 78.132 ± 0.002° |
| β | 77.374 ± 0.002° |
| γ | 78.525 ± 0.002° |
| Cell volume | 996.6 ± 0.16 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0611 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1363 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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The link is: https://www.crystallography.net/1547292.html
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Users of the data should acknowledge the original authors of the
structural data.