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Information card for entry 7202370
Preview
| Coordinates | 7202370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7202370.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7202370.cif |
| 180354 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/23. |
7202370.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202370.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202370.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202370.cif |
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Users of the data should acknowledge the original authors of the
structural data.