Information card for entry 4036110
| Formula |
C28.25 H26.5 Cl0.5 I2 N6 |
| Calculated formula |
C28.25 H26.5 Cl0.5 I2 N6 |
| 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 |
15.2526 ± 0.0003 Å |
| b |
19.8673 ± 0.0005 Å |
| c |
21.8203 ± 0.0005 Å |
| α |
90° |
| β |
91.264 ± 0.001° |
| γ |
90° |
| Cell volume |
6610.6 ± 0.3 Å3 |
| Cell temperature |
133 ± 2 K |
| Ambient diffraction temperature |
133 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0345 |
| Residual factor for significantly intense reflections |
0.0325 |
| Weighted residual factors for significantly intense reflections |
0.0782 |
| Weighted residual factors for all reflections included in the refinement |
0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.077 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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