Information card for entry 1547193
| Formula |
C26 H20 |
| Calculated formula |
C26 H20 |
| SMILES |
c1c(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cccc1 |
| Title of publication |
Diagnostic Absolute Configuration Determination of Tetraphenylethene Core-Based Chiral Aggregation-Induced Emission Compounds: Particular Fingerprint Bands in Comprehensive Chiroptical Spectroscopy |
| Authors of publication |
Li, Dan; Hu, Rongrong; Guo, Dong; Zang, Qiguang; Li, Jianhui; Wang, Yuekui; Zheng, Yan-Song; Tang, Ben Zhong; Zhang, Hui |
| Journal of publication |
The Journal of Physical Chemistry C |
| Year of publication |
2017 |
| Journal volume |
121 |
| Journal issue |
38 |
| Pages of publication |
20947 |
| a |
9.78469 ± 0.00007 Å |
| b |
9.17234 ± 0.00004 Å |
| c |
10.79906 ± 0.00007 Å |
| α |
90° |
| β |
108.096 ± 0.0008° |
| γ |
90° |
| Cell volume |
921.262 ± 0.011 Å3 |
| Cell temperature |
99.98 ± 0.13 K |
| Ambient diffraction temperature |
99.98 ± 0.13 K |
| Number of distinct elements |
2 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0283 |
| Residual factor for significantly intense reflections |
0.0281 |
| Weighted residual factors for significantly intense reflections |
0.0718 |
| Weighted residual factors for all reflections included in the refinement |
0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.086 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1547193.html
