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Information card for entry 7215495
Preview
| Coordinates | 7215495.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H36 O2 S5 |
|---|---|
| Calculated formula | C30 H36 O2 S5 |
| SMILES | s1c(c(c2S(=O)(=O)c3c(sc(c4sc(CCCCCC)cc4)c3C)c12)C)c1sc(CCCCCC)cc1 |
| Title of publication | Influence of the oxidation level on the electronic, morphological and charge transport properties of novel dithienothiophene S-oxide and S,S-dioxide inner core oligomers |
| Authors of publication | Santato, Clara; Favaretto, Laura; Melucci, Manuela; Zanelli, Alberto; Gazzano, Massimo; Monari, Magda; Isik, Dilek; Banville, David; Bertolazzi, Simone; Loranger, Sébastien; Cicoira, Fabio |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2010 |
| Journal volume | 20 |
| Journal issue | 4 |
| Pages of publication | 669 |
| a | 9.2754 ± 0.0015 Å |
| b | 11.6067 ± 0.0019 Å |
| c | 14.374 ± 0.002 Å |
| α | 80.407 ± 0.002° |
| β | 87.018 ± 0.002° |
| γ | 88.813 ± 0.002° |
| Cell volume | 1523.6 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1439 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1481 |
| Weighted residual factors for all reflections included in the refinement | 0.1924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215495.cif |
| 180485 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/54. |
7215495.cif |
| 112357 | 2014-05-01 | cif/ Adding structures of 7215495 via cif-deposit CGI script. |
7215495.cif |
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Users of the data should acknowledge the original authors of the
structural data.