Information card for entry 1577186
| Formula |
C77.5 H92.25 Br Cl0.75 O0.25 |
| Calculated formula |
C77 H91 Br |
| Title of publication |
π-Aggregation-Free, Fused Perylene Pentamers: Synthesis, Narrowband Far-Red to Near-Infrared Emission, and Chiroptical Properties |
| Authors of publication |
Zhou, Qifeng; Bao, Lin-Tao; Liu, Rui; Sun, Zhitao; Ye, Zhuolin; Jiao, Liuying; Fan, Wei; Zou, Ya; Yang, Hai-Bo; Wu, Jishan |
| Journal of publication |
Chemical Science |
| Year of publication |
2026 |
| a |
17.0845 ± 0.0005 Å |
| b |
18.9701 ± 0.0005 Å |
| c |
23.5086 ± 0.0007 Å |
| α |
91.828 ± 0.002° |
| β |
92.765 ± 0.002° |
| γ |
111.67 ± 0.002° |
| Cell volume |
7062.2 ± 0.4 Å3 |
| Cell temperature |
106 K |
| Ambient diffraction temperature |
106 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0639 |
| Residual factor for significantly intense reflections |
0.0544 |
| Weighted residual factors for significantly intense reflections |
0.1396 |
| Weighted residual factors for all reflections included in the refinement |
0.1454 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1577186.html
