Information card for entry 7202370
| Formula |
C14 H8 S4 |
| Calculated formula |
C14 H8 S4 |
| SMILES |
S1C(Sc2ccccc12)=C1Sc2c(S1)cccc2 |
| Title of publication |
The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene |
| Authors of publication |
Brillante, Aldo; Bilotti, Ivano; Della Valle, Raffaele Guido; Venuti, Elisabetta; Milita, Silvia; Dionigi, Chiara; Borgatti, Francesco; Lazar, Adina Nicoleta; Biscarini, Fabio; Mas-Torrent, Marta; Oxtoby, Neil S.; Crivillers, Nuria; Veciana, Jaume; Rovira, Concepció; Leufgen, Michael; Schmidt, Georg; Molenkamp, Laurens W. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2008 |
| Journal volume |
10 |
| Journal issue |
12 |
| Pages of publication |
1899 |
| a |
15.154 ± 0.009 Å |
| b |
11.571 ± 0.007 Å |
| c |
8.027 ± 0.005 Å |
| α |
90° |
| β |
111.637 ± 0.01° |
| γ |
90° |
| Cell volume |
1308.3 ± 1.4 Å3 |
| Cell temperature |
300 ± 2 K |
| Ambient diffraction temperature |
300 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0786 |
| Residual factor for significantly intense reflections |
0.0553 |
| Weighted residual factors for significantly intense reflections |
0.1242 |
| Weighted residual factors for all reflections included in the refinement |
0.1343 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.943 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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