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Information card for entry 7208433
Preview
| Coordinates | 7208433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H12 O2 S3 |
|---|---|
| Calculated formula | C20 H12 O2 S3 |
| SMILES | s1c(cc2S(=O)(=O)c3c(sc(c3)c3ccccc3)c12)c1ccccc1 |
| Title of publication | Highly luminescent π-conjugated dithienometalloles: photophysical properties and their application in organic light-emitting diodes |
| Authors of publication | Kondo, Ryosuke; Yasuda, Takuma; Yang, Yu Seok; Kim, Jun Yun; Adachi, Chihaya |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 33 |
| Pages of publication | 16810 |
| a | 16.192 ± 0.003 Å |
| b | 15.167 ± 0.003 Å |
| c | 13.658 ± 0.003 Å |
| α | 90° |
| β | 96.209 ± 0.003° |
| γ | 90° |
| Cell volume | 3334.5 ± 1.2 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for all reflections included in the refinement | 0.1299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7208433.cif |
| 180415 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/84. |
7208433.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208433.cif |
| 64375 | 2012-08-12 | cif/ Adding structures of 7208431, 7208432, 7208433 via cif-deposit CGI script. |
7208433.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.