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Information card for entry 4101605
Preview
| Coordinates | 4101605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H8 S2 |
|---|---|
| Calculated formula | C20 H8 S2 |
| SMILES | S1c2ccc3ccc4c5c3c2c2c3c(ccc(c53)S4)ccc12 |
| Title of publication | Solution-Processed, High-Performance Nanoribbon Transistors Based on Dithioperylene |
| Authors of publication | Jiang, Wei; Zhou, Yan; Geng, Hua; Jiang, Shidong; Yan, Shouke; Hu, Wenping; Wang, Zhaohui; Shuai, Zhigang; Pei, Jian |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Journal issue | 1 |
| Pages of publication | 1 - 3 |
| a | 9.6585 ± 0.0019 Å |
| b | 4.3731 ± 0.0009 Å |
| c | 15.436 ± 0.003 Å |
| α | 90° |
| β | 98.37 ± 0.03° |
| γ | 90° |
| Cell volume | 645 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.064 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.146 |
| Weighted residual factors for all reflections included in the refinement | 0.1523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4101605.cif |
| 178762 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/16. |
4101605.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4101605.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101605.cif |
| 21734 | 2011-06-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4101605 via cif-deposit CGI script. |
4101605.cif |
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Users of the data should acknowledge the original authors of the
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