Information card for entry 4125762
| Formula |
C90 H93 Cl9 N12 O12 |
| Calculated formula |
C90 H93 Cl9 N12 O12 |
| Title of publication |
Molecular Barrel by a Hooping Strategy: Synthesis, Structure, and Selective CO2 Adsorption Facilitated by Lone Pair-π Interactions. |
| Authors of publication |
Wang, Qi-Qiang; Luo, Na; Wang, Xu-Dong; Ao, Yu-Fei; Chen, Yi-Fan; Liu, Jun-Min; Su, Cheng-Yong; Wang, De-Xian; Wang, Mei-Xiang |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2017 |
| Journal volume |
139 |
| Journal issue |
2 |
| Pages of publication |
635 - 638 |
| a |
15.087 ± 0.005 Å |
| b |
17.675 ± 0.005 Å |
| c |
18.954 ± 0.005 Å |
| α |
90.351 ± 0.009° |
| β |
101.081 ± 0.006° |
| γ |
114.785 ± 0.005° |
| Cell volume |
4482 ± 2 Å3 |
| Cell temperature |
173.15 K |
| Ambient diffraction temperature |
173.15 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 |
0.1331 |
| Residual factor for significantly intense reflections |
0.1113 |
| Weighted residual factors for significantly intense reflections |
0.2245 |
| Weighted residual factors for all reflections included in the refinement |
0.2374 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.198 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/4125762.html
