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Information card for entry 4028926
Preview
| Coordinates | 4028926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C61 H48 S4 |
|---|---|
| Calculated formula | C61 H48 S4 |
| Title of publication | Quaterthiophenes with Terminal Indeno[1,2-b]thiophene Units asp-Type Organic Semiconductors |
| Authors of publication | Pouchain, Laurent; Alévêque, Olivier; Nicolas, Yohann; Oger, Agathe; Le Régent, Charles-Henri; Allain, Magali; Blanchard, Philippe; Roncali, Jean |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Journal issue | 3 |
| Pages of publication | 1054 - 1064 |
| a | 10.941 ± 0.001 Å |
| b | 12.209 ± 0.001 Å |
| c | 19.061 ± 0.002 Å |
| α | 91.43 ± 0.01° |
| β | 103.31 ± 0.01° |
| γ | 101.65 ± 0.01° |
| Cell volume | 2419.9 ± 0.4 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 | 0.0527 |
| Weighted residual factors for all reflections included in the refinement | 0.1656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4028926.cif |
| 178468 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/89. |
4028926.cif |
| 99137 | 2014-01-30 | cif/ Adding structures of 4028926 via cif-deposit CGI script. |
4028926.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.