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Information card for entry 7238456
Preview
| Coordinates | 7238456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H12 O2 S |
|---|---|
| Calculated formula | C20 H12 O2 S |
| 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 | 14.1518 ± 0.0004 Å |
| b | 6.2943 ± 0.0001 Å |
| c | 18.7696 ± 0.0005 Å |
| α | 90° |
| β | 109.741 ± 0.001° |
| γ | 90° |
| Cell volume | 1573.65 ± 0.07 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0719 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1693 |
| Weighted residual factors for all reflections included in the refinement | 0.1815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244182 (current) | 2019-11-28 | cif/ Adding structures of 7238455, 7238456, 7238457, 7238458, 7238459, 7238460 via cif-deposit CGI script. |
7238456.cif |
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Users of the data should acknowledge the original authors of the
structural data.