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Information card for entry 2204619
Preview
| Coordinates | 2204619.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,3-Bis(3,4-dicyanophenoxy)benzene |
|---|---|
| Formula | C22 H10 N4 O2 |
| Calculated formula | C22 H10 N4 O2 |
| SMILES | O(c1cc(c(cc1)C#N)C#N)c1cc(Oc2cc(c(cc2)C#N)C#N)ccc1 |
| Title of publication | 1,3-Bis(3,4-dicyanophenoxy)benzene |
| Authors of publication | Deveci, Özlem; Işık, Şamil; Yavuz, Metin; Akdemir, Nesuhi; Ağar, Erbil; Kantar, Cihan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 12 |
| Pages of publication | o2309 - o2310 |
| a | 8.2296 ± 0.0006 Å |
| b | 8.6309 ± 0.0007 Å |
| c | 13.4708 ± 0.001 Å |
| α | 75.085 ± 0.006° |
| β | 88.71 ± 0.006° |
| γ | 77.777 ± 0.006° |
| Cell volume | 903.1 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0899 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1655 |
| Weighted residual factors for all reflections included in the refinement | 0.1862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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