Information card for entry 1566922
| Formula |
C108 H99 Cl9 O12 |
| Calculated formula |
C108 H99 Cl9 O12 |
| Title of publication |
Cagearenes: synthesis, characterization, and application for programmed vapor release |
| Authors of publication |
Fang, Shuai; Wang, Mengbin; Wu, Yating; Guo, Qing-Hui; Li, Errui; Li, Hao; Huang, Feihe |
| Journal of publication |
Chemical Science |
| Year of publication |
2022 |
| a |
14.9569 ± 0.0004 Å |
| b |
17.9039 ± 0.0005 Å |
| c |
22.5745 ± 0.0006 Å |
| α |
69.1 ± 0.002° |
| β |
74.702 ± 0.002° |
| γ |
88.173 ± 0.002° |
| Cell volume |
5434.3 ± 0.3 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
172.99 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1389 |
| Residual factor for significantly intense reflections |
0.1124 |
| Weighted residual factors for significantly intense reflections |
0.2558 |
| Weighted residual factors for all reflections included in the refinement |
0.2719 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.947 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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