Information card for entry 4088999
| Formula |
C47 H40 B Cl2 F10 P |
| Calculated formula |
C47 H40 B Cl2 F10 P |
| SMILES |
[PH+](c1c([BH](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc(c2CCCCc12)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)Cl |
| 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 |
11.7476 ± 0.0003 Å |
| b |
13.4169 ± 0.0003 Å |
| c |
15.7177 ± 0.0005 Å |
| α |
106.742 ± 0.001° |
| β |
103.703 ± 0.001° |
| γ |
107.436 ± 0.001° |
| Cell volume |
2116.99 ± 0.1 Å3 |
| Cell temperature |
223 ± 2 K |
| Ambient diffraction temperature |
223 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1285 |
| Residual factor for significantly intense reflections |
0.0857 |
| Weighted residual factors for significantly intense reflections |
0.1501 |
| Weighted residual factors for all reflections included in the refinement |
0.1776 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.092 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/4088999.html
