Information card for entry 7111830
| Chemical name |
1-bora-1-bromo-4,5,6,7-tetrafluoro-2,3-bis(pentafluorophenyl)indene |
| Formula |
C20 B Br F14 |
| Calculated formula |
C20 B Br F14 |
| SMILES |
BrB1c2c(c(F)c(c(F)c2F)F)C(=C1c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication |
Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene |
| Authors of publication |
Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen |
| Journal of publication |
Chem.Commun. |
| Year of publication |
2014 |
| Journal volume |
50 |
| Pages of publication |
1295 |
| a |
9.0742 ± 0.0003 Å |
| b |
10.2272 ± 0.0004 Å |
| c |
10.9121 ± 0.0003 Å |
| α |
71.095 ± 0.002° |
| β |
79.247 ± 0.002° |
| γ |
84.755 ± 0.002° |
| Cell volume |
940.71 ± 0.06 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.042 |
| Residual factor for significantly intense reflections |
0.0351 |
| Weighted residual factors for significantly intense reflections |
0.0821 |
| Weighted residual factors for all reflections included in the refinement |
0.0885 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.081 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7111830.html
