Information card for entry 4134339
| Formula |
C26 H27 F12 N9 P2 |
| Calculated formula |
C26 H27 F12 N9 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 |
10.3447 ± 0.0004 Å |
| b |
11.486 ± 0.0004 Å |
| c |
17.3882 ± 0.0006 Å |
| α |
104.29 ± 0.002° |
| β |
94.193 ± 0.002° |
| γ |
112.848 ± 0.002° |
| Cell volume |
1811.71 ± 0.12 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 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 |
0.0603 |
| Residual factor for significantly intense reflections |
0.0516 |
| Weighted residual factors for significantly intense reflections |
0.1356 |
| Weighted residual factors for all reflections included in the refinement |
0.1422 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4134339.html
