Information card for entry 2204619
| 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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https://www.crystallography.net/2204619.html
