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Information card for entry 1504535
Preview
| Coordinates | 1504535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H6 F2 O2 S3 |
|---|---|
| Calculated formula | C15 H6 F2 O2 S3 |
| SMILES | s1c(c2sccc2)c2c(c1c1sccc1)C(=O)C(F)(F)C2=O |
| Title of publication | Electronegative oligothiophenes based on difluorodioxocyclopentene-annelated thiophenes: synthesis, properties, and n-type FET performances. |
| Authors of publication | Ie, Yutaka; Umemoto, Yoshikazu; Okabe, Makoto; Kusunoki, Takahiro; Nakayama, Ken-ichi; Pu, Yong-Jin; Kido, Junji; Tada, Hirokazu; Aso, Yoshio |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 5 |
| Pages of publication | 833 - 836 |
| a | 15.6617 ± 0.0005 Å |
| b | 14.8817 ± 0.0005 Å |
| c | 17.7747 ± 0.0006 Å |
| α | 90° |
| β | 91.2299 ± 0.001° |
| γ | 90° |
| Cell volume | 4141.8 ± 0.2 Å3 |
| Cell temperature | 200.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for all reflections included in the refinement | 0.1456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.523 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1504535.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1504535.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504535.cif |
| 42149 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504535 via cif-deposit CGI script. |
1504535.cif |
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Users of the data should acknowledge the original authors of the
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