Information card for entry 1558371
Formula |
C36 H60 B2 Br2 N2 |
Calculated formula |
C36 H60 B2 Br2 N2 |
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 |
32.9585 ± 0.0003 Å |
b |
32.9585 ± 0.0003 Å |
c |
9.9663 ± 0.0002 Å |
α |
90° |
β |
90° |
γ |
120° |
Cell volume |
9375.6 ± 0.2 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 K |
Number of distinct elements |
5 |
Space group number |
148 |
Hermann-Mauguin space group symbol |
R -3 :H |
Hall space group symbol |
-R 3 |
Residual factor for all reflections |
0.0604 |
Residual factor for significantly intense reflections |
0.0559 |
Weighted residual factors for significantly intense reflections |
0.1635 |
Weighted residual factors for all reflections included in the refinement |
0.1691 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.051 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1558371.html