Information card for entry 4075377
| Formula |
C45 H49 Li O4 |
| Calculated formula |
C45 H49 Li O4 |
| SMILES |
[cH-]1c2c(c3c1c1ccccc1c1ccccc31)c1c(c3c2cccc3)cccc1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication |
Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes |
| Authors of publication |
Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen |
| Journal of publication |
Organometallics |
| Year of publication |
2006 |
| Journal volume |
25 |
| Journal issue |
16 |
| Pages of publication |
3824 |
| a |
12.8899 ± 0.0011 Å |
| b |
17.0343 ± 0.0013 Å |
| c |
18.0571 ± 0.0013 Å |
| α |
106.81 ± 0.008° |
| β |
96.169 ± 0.009° |
| γ |
105.422 ± 0.009° |
| Cell volume |
3585 ± 0.6 Å3 |
| Cell temperature |
153 ± 2 K |
| Ambient diffraction temperature |
153 ± 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 |
0.1059 |
| Residual factor for significantly intense reflections |
0.0463 |
| Weighted residual factors for significantly intense reflections |
0.091 |
| Weighted residual factors for all reflections included in the refinement |
0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.815 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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