Information card for entry 1557195
| Formula |
C20 H14 |
| Calculated formula |
C20 H14 |
| 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 |
5.9457 ± 0.0003 Å |
| b |
7.8815 ± 0.0005 Å |
| c |
14.0822 ± 0.0008 Å |
| α |
86.684 ± 0.005° |
| β |
87.09 ± 0.005° |
| γ |
88.848 ± 0.005° |
| Cell volume |
657.85 ± 0.07 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 |
0.1123 |
| Residual factor for significantly intense reflections |
0.0583 |
| Weighted residual factors for significantly intense reflections |
0.1269 |
| Weighted residual factors for all reflections included in the refinement |
0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
| 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/1557195.html
