Information card for entry 4518188
| Formula |
C46 H28 N4 S2 |
| Calculated formula |
C46 H28 N4 S2 |
| Title of publication |
Triptycene-Based Luminescent Materials in Homoconjugated Charge-Transfer Systems: Synthesis, Electronic Structures, AIE Activity, and Highly Tunable Emissions |
| Authors of publication |
Lei, Puyi; Zhang, Songhe; Zhang, Niu; Yin, Xiaodong; Wang, Nan; Chen, Pangkuan |
| Journal of publication |
ACS Omega |
| Year of publication |
2020 |
| a |
11.3781 ± 0.0004 Å |
| b |
11.4044 ± 0.0004 Å |
| c |
28.9791 ± 0.0011 Å |
| α |
90° |
| β |
96.823 ± 0.001° |
| γ |
90° |
| Cell volume |
3733.7 ± 0.2 Å3 |
| Cell temperature |
180 ± 2 K |
| Ambient diffraction temperature |
179.99 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 |
0.0955 |
| Residual factor for significantly intense reflections |
0.0504 |
| Weighted residual factors for significantly intense reflections |
0.1233 |
| Weighted residual factors for all reflections included in the refinement |
0.1403 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.043 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4518188.html
