Information card for entry 7127455
| Formula |
C19 H14 N2 O3 |
| Calculated formula |
C19 H14 N2 O3 |
| SMILES |
N12C(CN3C(=C1c1c(C2=O)cccc1)c1c(C3=O)cccc1)OC |
| Title of publication |
Ambipolar pentacyclic diamides with interesting electrochemical and optoelectronic properties. |
| Authors of publication |
Marques, Carolina S.; Cruz, Hugo; Lawrence, Simon E.; Gago, Sandra; Prates Ramalho, João P; Morgado, Jorge; Branco, Luís C; Burke, Anthony J. |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2020 |
| Journal volume |
56 |
| Journal issue |
94 |
| Pages of publication |
14893 - 14896 |
| a |
7.5891 ± 0.0002 Å |
| b |
10.1094 ± 0.0003 Å |
| c |
20.3877 ± 0.0006 Å |
| α |
95.642 ± 0.001° |
| β |
97.677 ± 0.001° |
| γ |
104.552 ± 0.001° |
| Cell volume |
1486.17 ± 0.07 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0352 |
| Residual factor for significantly intense reflections |
0.0341 |
| Weighted residual factors for significantly intense reflections |
0.0887 |
| Weighted residual factors for all reflections included in the refinement |
0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7127455.html
