Information card for entry 7232704
| Formula |
C45 H7 F20 N5 O6 |
| Calculated formula |
C45 H7 F20 N5 O6 |
| Title of publication |
Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids |
| Authors of publication |
Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long |
| Journal of publication |
Physical Chemistry Chemical Physics |
| Year of publication |
2019 |
| a |
18.2714 ± 0.0003 Å |
| b |
18.3261 ± 0.0002 Å |
| c |
35.2109 ± 0.0006 Å |
| α |
95.797 ± 0.001° |
| β |
97.429 ± 0.001° |
| γ |
90.023 ± 0.001° |
| Cell volume |
11630.3 ± 0.3 Å3 |
| Cell temperature |
179.99 ± 0.11 K |
| Ambient diffraction temperature |
179.99 ± 0.11 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 |
0.1463 |
| Residual factor for significantly intense reflections |
0.0959 |
| Weighted residual factors for significantly intense reflections |
0.2193 |
| Weighted residual factors for all reflections included in the refinement |
0.2449 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.018 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7232704.html
