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Information card for entry 7226203
Preview
| Coordinates | 7226203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H12 O2 S |
|---|---|
| Calculated formula | C19 H12 O2 S |
| SMILES | O=C(C)c1sc(cc1)c1cc2C(=O)c3ccccc3c2cc1 |
| Title of publication | Symmetric and unsymmetric thienyl-substituted fluorenone dyes: static excimer-induced emission enhancement |
| Authors of publication | Xu, Fan; Yuan, Maosen; Wang, Wenji; Du, Xianchao; Wang, Hui; Li, Na; Yu, Ruijin; Du, Zhenting; Wang, Jinyi |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 6.109 ± 0.0006 Å |
| b | 7.6441 ± 0.0007 Å |
| c | 15.5179 ± 0.0014 Å |
| α | 98.759 ± 0.002° |
| β | 99.355 ± 0.002° |
| γ | 96.627 ± 0.001° |
| Cell volume | 699.34 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1303 |
| Residual factor for significantly intense reflections | 0.103 |
| Weighted residual factors for significantly intense reflections | 0.269 |
| Weighted residual factors for all reflections included in the refinement | 0.2914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185732 (current) | 2016-08-10 | cif/ Adding structures of 7226203 via cif-deposit CGI script. |
7226203.cif |
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