Information card for entry 4000923
| Formula |
C22 H4 F8 O2 |
| Calculated formula |
C22 H4 F8 O2 |
| SMILES |
O=C1c2cc3c(cc2C(=O)c2c1cc1c(c2)c(F)c(c(c1F)F)F)c(F)c(c(c3F)F)F |
| Title of publication |
N-Type Organic Semiconductors Based on π-Deficient Pentacenequinones: Synthesis, Electronic Structures, Molecular Packing, and Thin Film Transistors |
| Authors of publication |
Liang, Zhixiong; Tang, Qin; Liu, Jing; Li, Jinhua; Yan, Feng; Miao, Qian |
| Journal of publication |
Chemistry of Materials |
| Year of publication |
2010 |
| Journal volume |
22 |
| Journal issue |
23 |
| Pages of publication |
6438 |
| a |
4.8938 ± 0.0003 Å |
| b |
5.6273 ± 0.0003 Å |
| c |
14.6838 ± 0.0009 Å |
| α |
93.057 ± 0.001° |
| β |
92.422 ± 0.001° |
| γ |
98.455 ± 0.001° |
| Cell volume |
398.9 ± 0.04 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 |
0.0545 |
| Residual factor for significantly intense reflections |
0.0381 |
| Weighted residual factors for significantly intense reflections |
0.112 |
| Weighted residual factors for all reflections included in the refinement |
0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
| 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/4000923.html
