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Information card for entry 7238459
Preview
| Coordinates | 7238459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H28 S2 |
|---|---|
| Calculated formula | C30 H28 S2 |
| Title of publication | 2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II |
| Authors of publication | Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew |
| Journal of publication | RSC Advances |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 5 |
| Pages of publication | 1870 |
| a | 6.2158 ± 0.0004 Å |
| b | 7.6037 ± 0.0005 Å |
| c | 13.2115 ± 0.001 Å |
| α | 102.29 ± 0.002° |
| β | 93.687 ± 0.002° |
| γ | 97.016 ± 0.002° |
| Cell volume | 602.91 ± 0.07 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1354 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238459.cif |
| 244182 | 2019-11-28 | cif/ Adding structures of 7238455, 7238456, 7238457, 7238458, 7238459, 7238460 via cif-deposit CGI script. |
7238459.cif |
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Users of the data should acknowledge the original authors of the
structural data.