Information card for entry 1558373
| Formula |
C57.5 H90 B2 N4 |
| Calculated formula |
C57.5 H90 B2 N4 |
| Title of publication |
BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes |
| Authors of publication |
Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing |
| Journal of publication |
Chemical Science |
| Year of publication |
2020 |
| a |
11.7577 ± 0.0004 Å |
| b |
13.9324 ± 0.0004 Å |
| c |
18.6526 ± 0.0005 Å |
| α |
102.637 ± 0.002° |
| β |
99.834 ± 0.002° |
| γ |
105.896 ± 0.003° |
| Cell volume |
2779.5 ± 0.16 Å3 |
| Cell temperature |
172.99 ± 0.1 K |
| Ambient diffraction temperature |
172.99 ± 0.1 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0845 |
| Residual factor for significantly intense reflections |
0.0595 |
| Weighted residual factors for significantly intense reflections |
0.1426 |
| Weighted residual factors for all reflections included in the refinement |
0.1519 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1558373.html
