Information card for entry 4135294
| Formula |
C89 H76 Cl4 N6 O3 S16 |
| Calculated formula |
C89 H76 Cl4 N6 O3 S16 |
| Title of publication |
Ratiometric Turn-On Fluorophore Displacement Ensembles for Nitroaromatic Explosives Detection |
| Authors of publication |
Lee, Ji Yoon; Root, Harrison D.; Ali, Rashid; An, Won; Lynch, Vincent M.; Bähring, Steffen; Kim, In Su; Sessler, Jonathan L.; Park, Jung Su |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2020 |
| a |
13.2198 ± 0.0009 Å |
| b |
19.9501 ± 0.0014 Å |
| c |
21.0748 ± 0.0014 Å |
| α |
69.421 ± 0.007° |
| β |
75.275 ± 0.006° |
| γ |
72.132 ± 0.006° |
| Cell volume |
4885.3 ± 0.6 Å3 |
| Cell temperature |
223 K |
| Ambient diffraction temperature |
223 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.188 |
| Residual factor for significantly intense reflections |
0.0726 |
| Weighted residual factors for significantly intense reflections |
0.1776 |
| Weighted residual factors for all reflections included in the refinement |
0.2447 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.977 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| 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/4135294.html
