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Information card for entry 1518871
Preview
| Coordinates | 1518871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H22 O S |
|---|---|
| Calculated formula | C31 H22 O S |
| SMILES | s1c(ccc1c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)C=O |
| Title of publication | Very bright mechanoluminescence and remarkable mechanochromism using a tetraphenylethene derivative with aggregation-induced emission |
| Authors of publication | Xu, Bingjia; He, Jiajun; Mu, Yingxiao; Zhu, Qiangzhong; Wu, Sikai; Wang, Yifan; Zhang, Yi; Jin, Chongjun; Lo, Changcheng; Chi, Zhenguo; Lien, Alan; Liu, Siwei; Xu, Jiarui |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 3236 |
| a | 5.594 ± 0.00016 Å |
| b | 47.1662 ± 0.0011 Å |
| c | 9.2545 ± 0.0003 Å |
| α | 90° |
| β | 103.425 ± 0.003° |
| γ | 90° |
| Cell volume | 2375.06 ± 0.12 Å3 |
| Cell temperature | 279.88 ± 0.1 K |
| Ambient diffraction temperature | 279.88 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1381 |
| Weighted residual factors for all reflections included in the refinement | 0.1437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518871.cif |
| 138489 | 2015-06-07 | cif/ Updating files of 1518871 Original log message: Adding full bibliography for 1518871.cif. |
1518871.cif |
| 134100 | 2015-03-19 | cif/ Adding structures of 1518871 via cif-deposit CGI script. |
1518871.cif |
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Users of the data should acknowledge the original authors of the
structural data.