Information card for entry 1556136
| Formula |
C22 H13 O2 P S |
| Calculated formula |
C22 H13 O2 P S |
| SMILES |
P1(=S)(c2c3ccccc3oc2c2oc3c(c12)cccc3)c1ccccc1 |
| Title of publication |
Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties. |
| Authors of publication |
Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel |
| Journal of publication |
Organic letters |
| Year of publication |
2013 |
| Journal volume |
15 |
| Journal issue |
2 |
| Pages of publication |
330 - 333 |
| a |
13.099 ± 0.001 Å |
| b |
13.122 ± 0.002 Å |
| c |
13.604 ± 0.002 Å |
| α |
117.831 ± 0.004° |
| β |
117.735 ± 0.004° |
| γ |
91.969 ± 0.005° |
| Cell volume |
1733.1 ± 0.4 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 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 |
0.0432 |
| Residual factor for significantly intense reflections |
0.0343 |
| Weighted residual factors for significantly intense reflections |
0.0899 |
| Weighted residual factors for all reflections included in the refinement |
0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.085 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1556136.html
