Information card for entry 4088994
| Formula |
C46 H38 B F10 P |
| Calculated formula |
C46 H38 B F10 P |
| SMILES |
[P]1(C(=C(/C=C/c2ccccc2)[B]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C1=CCCCC1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication |
Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide |
| Authors of publication |
Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard |
| Journal of publication |
Organometallics |
| Year of publication |
2016 |
| Journal volume |
35 |
| Journal issue |
21 |
| Pages of publication |
3667 |
| a |
12.4191 ± 0.0002 Å |
| b |
13.0158 ± 0.0002 Å |
| c |
15.878 ± 0.0003 Å |
| α |
106.25 ± 0.001° |
| β |
105.633 ± 0.001° |
| γ |
92.883 ± 0.001° |
| Cell volume |
2350.87 ± 0.07 Å3 |
| Cell temperature |
223 ± 2 K |
| Ambient diffraction temperature |
223 ± 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 |
0.0909 |
| Residual factor for significantly intense reflections |
0.0708 |
| Weighted residual factors for significantly intense reflections |
0.1783 |
| Weighted residual factors for all reflections included in the refinement |
0.1919 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
| 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/4088994.html
