Information card for entry 1550924
Chemical name |
cage-tfa |
Formula |
C45 H30 F9 N6 O6 |
Calculated formula |
C45 H30 F9 N6 O6 |
Title of publication |
Guest recognition enhanced by lateral interactions |
Authors of publication |
Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao |
Journal of publication |
Chemical Science |
Year of publication |
2019 |
a |
13.6264 ± 0.0005 Å |
b |
30.4112 ± 0.0012 Å |
c |
14.0126 ± 0.0005 Å |
α |
90° |
β |
100.631 ± 0.002° |
γ |
90° |
Cell volume |
5707.1 ± 0.4 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 K |
Number of distinct elements |
5 |
Space group number |
11 |
Hermann-Mauguin space group symbol |
P 1 21/m 1 |
Hall space group symbol |
-P 2yb |
Residual factor for all reflections |
0.1155 |
Residual factor for significantly intense reflections |
0.1063 |
Weighted residual factors for significantly intense reflections |
0.3529 |
Weighted residual factors for all reflections included in the refinement |
0.368 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.644 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1550924.html