Information card for entry 4000924
| Formula |
C18 H8 N4 O2 |
| Calculated formula |
C18 H8 N4 O2 |
| SMILES |
O=C1c2cc3nccnc3cc2C(=O)c2c1cc1nccnc1c2 |
| 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 |
10.5911 ± 0.0007 Å |
| b |
16.0352 ± 0.0011 Å |
| c |
3.8021 ± 0.0002 Å |
| α |
90° |
| β |
95.607 ± 0.001° |
| γ |
90° |
| Cell volume |
642.62 ± 0.07 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
12 |
| Hermann-Mauguin space group symbol |
C 1 2/m 1 |
| Hall space group symbol |
-C 2y |
| Residual factor for all reflections |
0.0457 |
| Residual factor for significantly intense reflections |
0.0365 |
| Weighted residual factors for significantly intense reflections |
0.0989 |
| Weighted residual factors for all reflections included in the refinement |
0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.08 |
| 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/4000924.html
