Information card for entry 4134344
| Formula |
C14 H14 F12 N6 P2 |
| Calculated formula |
C14 H14 F12 N6 P2 |
| Title of publication |
TetrazineBox: A Structurally Transformative ToolBox. |
| Authors of publication |
Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2020 |
| a |
7.8767 ± 0.0006 Å |
| b |
9.0304 ± 0.0008 Å |
| c |
14.5443 ± 0.0012 Å |
| α |
75.627 ± 0.004° |
| β |
82.233 ± 0.004° |
| γ |
82.011 ± 0.004° |
| Cell volume |
986.95 ± 0.14 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100.06 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0282 |
| Residual factor for significantly intense reflections |
0.0277 |
| Weighted residual factors for significantly intense reflections |
0.0711 |
| Weighted residual factors for all reflections included in the refinement |
0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.056 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4134344.html
