Information card for entry 1549276
| Formula |
C36 H33 B F15 O2 P S |
| Calculated formula |
C36 H33 B F15 O2 P S |
| SMILES |
S(=O)([P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1)O[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication |
Solid state frustrated Lewis pair chemistry. |
| Authors of publication |
Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard |
| Journal of publication |
Chemical science |
| Year of publication |
2018 |
| Journal volume |
9 |
| Journal issue |
21 |
| Pages of publication |
4859 - 4865 |
| a |
10.9369 ± 0.0002 Å |
| b |
12.602 ± 0.0002 Å |
| c |
15.7611 ± 0.0004 Å |
| α |
90.384 ± 0.001° |
| β |
97.992 ± 0.001° |
| γ |
111.759 ± 0.002° |
| Cell volume |
1993.92 ± 0.08 Å3 |
| Cell temperature |
223 ± 2 K |
| Ambient diffraction temperature |
223 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0598 |
| Residual factor for significantly intense reflections |
0.0496 |
| Weighted residual factors for significantly intense reflections |
0.1112 |
| Weighted residual factors for all reflections included in the refinement |
0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
| 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/1549276.html
