Information card for entry 1514957
| Formula |
C33 H16 O S4 |
| Calculated formula |
C33 H16 O S4 |
| SMILES |
c12c3c4c(C(c3c3c5c(C(=O)c3c1c1c(C2=C2SC=CS2)cccc1)cccc5)=C1SC=CS1)cccc4 |
| Title of publication |
Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60 |
| Authors of publication |
Isla, Helena; Grimm, Bruno; Pérez, Emilio M.; Rosario Torres, M.; Ángeles Herranz, M.; Viruela, Rafael; Aragó, Juan; Ortí, Enrique; M. Guldi, Dirk; Martín, Nazario |
| Journal of publication |
Chemical Science |
| Year of publication |
2012 |
| Journal volume |
3 |
| Journal issue |
2 |
| Pages of publication |
498 |
| a |
11.03 ± 0.005 Å |
| b |
12.159 ± 0.005 Å |
| c |
12.875 ± 0.006 Å |
| α |
112.013 ± 0.006° |
| β |
104.449 ± 0.007° |
| γ |
96.026 ± 0.008° |
| Cell volume |
1511.8 ± 1.2 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.1899 |
| Residual factor for significantly intense reflections |
0.0743 |
| Weighted residual factors for significantly intense reflections |
0.1142 |
| Weighted residual factors for all reflections included in the refinement |
0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.895 |
| Diffraction radiation wavelength |
0.71073 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/1514957.html
