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Information card for entry 4111800
Preview
| Coordinates | 4111800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H12 S4 |
|---|---|
| Calculated formula | C22 H12 S4 |
| Title of publication | High-Performance Organic Field-Effect Transistors Based on π-Extended Tetrathiafulvalene Derivatives |
| Authors of publication | Naraso; Jun-ichi Nishida; Shinji Ando; Jun Yamaguchi; Kenji Itaka; Hideomi Koinuma; Hirokazu Tada; Shizuo Tokito; Yoshiro Yamashita |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Pages of publication | 10142 - 10143 |
| a | 5.929 ± 0.009 Å |
| b | 7.85 ± 0.01 Å |
| c | 18.07 ± 0.03 Å |
| α | 86.44 ± 0.06° |
| β | 82.6 ± 0.06° |
| γ | 85.47 ± 0.06° |
| Cell volume | 830 ± 2 Å3 |
| Cell temperature | 93.2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.2367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.96 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4111800.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4111800.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4111800.cif |
| 63412 | 2012-08-01 | cif/ Adding structures of 4111800 via cif-deposit CGI script. |
4111800.cif |
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Users of the data should acknowledge the original authors of the
structural data.