Information card for entry 1558376
| Formula |
C38 H58 B2 N2 O4 |
| Calculated formula |
C38 H58 B2 N2 O4 |
| 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 |
9.0716 ± 0.001 Å |
| b |
9.8412 ± 0.0013 Å |
| c |
11.5149 ± 0.0012 Å |
| α |
76.803 ± 0.01° |
| β |
82.173 ± 0.009° |
| γ |
68.411 ± 0.011° |
| Cell volume |
929.1 ± 0.2 Å3 |
| Cell temperature |
172.99 ± 0.1 K |
| Ambient diffraction temperature |
172.99 ± 0.1 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 |
0.1119 |
| Residual factor for significantly intense reflections |
0.0803 |
| Weighted residual factors for significantly intense reflections |
0.1902 |
| Weighted residual factors for all reflections included in the refinement |
0.2121 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.079 |
| 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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The link is:
https://www.crystallography.net/1558376.html
