Information card for entry 1571741
| Formula |
C31 H46 B12 Cl2 N2 O4 |
| Calculated formula |
C31 H46 B12 Cl2 N2 O4 |
| Title of publication |
A Pd-catalyzed route to carborane-fused boron heterocycles. |
| Authors of publication |
Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin |
| Journal of publication |
Chemical science |
| Year of publication |
2024 |
| Journal volume |
15 |
| Journal issue |
27 |
| Pages of publication |
10392 - 10401 |
| a |
10.2799 ± 0.0002 Å |
| b |
29.3893 ± 0.0006 Å |
| c |
13.7124 ± 0.0003 Å |
| α |
90° |
| β |
103.772 ± 0.001° |
| γ |
90° |
| Cell volume |
4023.68 ± 0.14 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.1168 |
| Residual factor for significantly intense reflections |
0.0944 |
| Weighted residual factors for significantly intense reflections |
0.2632 |
| Weighted residual factors for all reflections included in the refinement |
0.2951 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
| Diffraction radiation wavelength |
1.54178 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/1571741.html
