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Information card for entry 7225908
Preview
| Coordinates | 7225908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | BDHN-TTF |
|---|---|
| Chemical name | bis(4,5-dihydronaphto[1,2-d])tetrathiafulvalene |
| Formula | C22 H16 S4 |
| Calculated formula | C22 H16 S4 |
| SMILES | C1(/SC2=C(S1)CCc1c2cccc1)=C1\SC2=C(S1)CCc1c2cccc1 |
| Title of publication | Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors. |
| Authors of publication | Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 33 |
| Pages of publication | 6149 - 6152 |
| a | 16.1748 ± 0.0018 Å |
| b | 7.7639 ± 0.0009 Å |
| c | 7.539 ± 0.0008 Å |
| α | 90° |
| β | 91.191 ± 0.002° |
| γ | 90° |
| Cell volume | 946.54 ± 0.18 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0463 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7225908.cif |
| 188088 | 2016-11-08 | cif/ Updating files of 7225908, 7225909 Original log message: Adding full bibliography for 7225908--7225909.cif. |
7225908.cif |
| 186366 | 2016-09-10 | cif/ Updating files of 7225908, 7225909 Original log message: Adding full bibliography for 7225908--7225909.cif. |
7225908.cif |
| 184432 | 2016-07-13 | cif/ Adding structures of 7225908, 7225909 via cif-deposit CGI script. |
7225908.cif |
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Users of the data should acknowledge the original authors of the
structural data.