Information card for entry 1577031
| Formula |
C27 H57 B11 N2 Si2 |
| Calculated formula |
C27 H57 B11 N2 Si2 |
| Title of publication |
Stepwise BN bond cleavage by isocyanides: access to the 3-azaborole structural motif |
| Authors of publication |
Xiang, Libo; Kwan, Ka Ho; Jing, Yi; Wang, Junyi; Matler, Alexander; Chen, Xuenian; Lin, Zhenyang; Ye, Qing |
| Journal of publication |
Chemical Science |
| Year of publication |
2026 |
| a |
11.3302 ± 0.0003 Å |
| b |
11.9721 ± 0.0002 Å |
| c |
28.1532 ± 0.0006 Å |
| α |
91.08 ± 0.002° |
| β |
91.634 ± 0.002° |
| γ |
101.979 ± 0.002° |
| Cell volume |
3733 ± 0.14 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 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 |
0.0454 |
| Residual factor for significantly intense reflections |
0.0406 |
| Weighted residual factors for significantly intense reflections |
0.1035 |
| Weighted residual factors for all reflections included in the refinement |
0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.029 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Diffraction radiation X-ray symbol |
K-L~2,3~ |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1577031.html
