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Information card for entry 1549292
Preview
| Coordinates | 1549292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H26 |
|---|---|
| Calculated formula | C30 H26 |
| SMILES | c1(c(c2ccccc2c2c(cc(cc12)C)C)c1ccccc1)c1cc(cc(c1)C)C |
| Title of publication | Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. |
| Authors of publication | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 20 |
| Pages of publication | 4662 - 4670 |
| a | 17.4337 ± 0.0014 Å |
| b | 6.9903 ± 0.0004 Å |
| c | 17.935 ± 0.0012 Å |
| α | 90° |
| β | 103.64 ± 0.007° |
| γ | 90° |
| Cell volume | 2124 ± 0.3 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 2 |
| 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 | 0.1085 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1268 |
| Weighted residual factors for all reflections included in the refinement | 0.1463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228763 (current) | 2019-11-17 | cif/ Updating files of 1549288, 1549289, 1549290, 1549291, 1549292, 1549293, 1549294, 1549295 Original log message: Adding full bibliography for 1549288--1549295.cif. |
1549292.cif |
| 207448 | 2018-04-24 | cif/ Adding structures of 1549288, 1549289, 1549290, 1549291, 1549292, 1549293, 1549294, 1549295 via cif-deposit CGI script. |
1549292.cif |
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Users of the data should acknowledge the original authors of the
structural data.