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Information card for entry 2011986
Preview
| Coordinates | 2011986.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | trans-stilbene - 2,2'-(2,3,5,6-tetrafluorobenzene-1,4-diylidene)- propanedinitrile (1/1) |
|---|---|
| Formula | C26 H12 F4 N4 |
| Calculated formula | C26 H12 F4 N4 |
| SMILES | c1ccc(cc1)/C=C/c1ccccc1.N#CC(=c1c(F)c(F)c(=C(C#N)C#N)c(c1F)F)C#N |
| Title of publication | The charge-transfer complex <i>trans</i>-STB–TCNQF~4~ |
| Authors of publication | Sato, Akane; Okada, Mizuho; Saito, Kazuya; Sorai, Michio |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | 564 - 565 |
| a | 9.555 ± 0.002 Å |
| b | 6.287 ± 0.002 Å |
| c | 17.295 ± 0.002 Å |
| α | 90° |
| β | 99.99 ± 0.01° |
| γ | 90° |
| Cell volume | 1023.2 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 2011987 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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