Information card for entry 4036115
| Formula |
C30 H33 B2 Br2 F8 N7 S |
| Calculated formula |
C30 H33 B2 Br2 F8 N7 S |
| Title of publication |
Anion receptors based on halogen bonding with halo-1,2,3-triazoliums. |
| Authors of publication |
Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S. |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2015 |
| Journal volume |
80 |
| Journal issue |
6 |
| Pages of publication |
3139 - 3150 |
| a |
15.2103 ± 0.0003 Å |
| b |
15.8367 ± 0.0005 Å |
| c |
17.3131 ± 0.0005 Å |
| α |
73 ± 0.001° |
| β |
69.553 ± 0.001° |
| γ |
74.841 ± 0.001° |
| Cell volume |
3677.32 ± 0.18 Å3 |
| Cell temperature |
133 ± 2 K |
| Ambient diffraction temperature |
133 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0952 |
| Residual factor for significantly intense reflections |
0.0696 |
| Weighted residual factors for significantly intense reflections |
0.142 |
| Weighted residual factors for all reflections included in the refinement |
0.1598 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.128 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| 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/4036115.html
