Information card for entry 1567066
| Formula |
C61 H83.5 N1.5 O10 |
| Calculated formula |
C61 H83.5 N1.5 O10 |
| Title of publication |
Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals |
| Authors of publication |
Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe |
| Journal of publication |
Chemical Science |
| Year of publication |
2022 |
| a |
14.9616 ± 0.0005 Å |
| b |
16.3732 ± 0.0006 Å |
| c |
24.4025 ± 0.001 Å |
| α |
109.598 ± 0.003° |
| β |
98.054 ± 0.002° |
| γ |
90 ± 0.002° |
| Cell volume |
5568.9 ± 0.4 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
170 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 |
0.1505 |
| Residual factor for significantly intense reflections |
0.099 |
| Weighted residual factors for significantly intense reflections |
0.2554 |
| Weighted residual factors for all reflections included in the refinement |
0.3027 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1567066.html
