Information card for entry 1558375
| Formula |
C47 H46 B2 N4 |
| Calculated formula |
C47 H46 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 |
11.2493 ± 0.0003 Å |
| b |
26.0979 ± 0.0007 Å |
| c |
13.6593 ± 0.0004 Å |
| α |
90° |
| β |
109.818 ± 0.003° |
| γ |
90° |
| Cell volume |
3772.64 ± 0.19 Å3 |
| Cell temperature |
172.98 ± 0.1 K |
| Ambient diffraction temperature |
172.98 ± 0.1 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0681 |
| Residual factor for significantly intense reflections |
0.0451 |
| Weighted residual factors for significantly intense reflections |
0.1068 |
| Weighted residual factors for all reflections included in the refinement |
0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71 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/1558375.html
