Information card for entry 1557196
| Formula |
C20 H14 |
| Calculated formula |
C20 H14 |
| SMILES |
c1cc2cccc2ccc1c1ccc2cccc2cc1 |
| Title of publication |
Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties |
| Authors of publication |
Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi |
| Journal of publication |
The Journal of Physical Chemistry C |
| Year of publication |
2020 |
| a |
6.087 ± 0.0002 Å |
| b |
7.5639 ± 0.0003 Å |
| c |
14.4293 ± 0.0005 Å |
| α |
97.942 ± 0.002° |
| β |
95.597 ± 0.002° |
| γ |
90.921 ± 0.003° |
| Cell volume |
654.54 ± 0.04 Å3 |
| Cell temperature |
296 K |
| Ambient diffraction temperature |
296 K |
| Number of distinct elements |
2 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0602 |
| Residual factor for significantly intense reflections |
0.0492 |
| Weighted residual factors for significantly intense reflections |
0.1129 |
| Weighted residual factors for all reflections included in the refinement |
0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.157 |
| Diffraction radiation wavelength |
1.54187 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1557196.html
