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Information card for entry 4001250
Preview
| Coordinates | 4001250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H16 S4 |
|---|---|
| Calculated formula | C14 H16 S4 |
| SMILES | C1CCC(=C2SC3=C(S2)SC(=C2CCCC2)S3)C1 |
| Title of publication | Organic Field-Effect Transistors Based on Alkyl-Terminated Tetrathiapentalene (TTP) Derivatives |
| Authors of publication | Bando, Yoshimasa; Shirahata, Takashi; Shibata, Koji; Wada, Hiroshi; Mori, Takehiko; Imakubo, Tatsuro |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2008 |
| Journal volume | 20 |
| Journal issue | 16 |
| Pages of publication | 5119 |
| a | 10.608 ± 0.007 Å |
| b | 13.666 ± 0.006 Å |
| c | 5.216 ± 0.002 Å |
| α | 96.14 ± 0.03° |
| β | 90 ± 0.04° |
| γ | 72.13 ± 0.04° |
| Cell volume | 715.1 ± 0.7 Å3 |
| Cell temperature | 293.2 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 | 0.0473 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.371 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4001250.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. |
4001250.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001250.cif |
| 41940 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4001249, 4001250 via cif-deposit CGI script. |
4001250.cif |
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Users of the data should acknowledge the original authors of the
structural data.