Information card for entry 7061801
| Formula |
C21 H21 N5 |
| Calculated formula |
C21 H21 N5 |
| Title of publication |
Novel pyrazolyazoindole derivatives as photoswitches: design, synthesis, and photoswitching behavior research combined with theoretical methods |
| Authors of publication |
Hu, Haoran; Jiang, Bitao; Zhang, Bo; Wang, Rong; Zhang, Chong; Sun, Chengguo; Hu, Bingcheng |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2022 |
| Journal volume |
46 |
| Journal issue |
38 |
| Pages of publication |
18316 - 18325 |
| a |
5.4109 ± 0.0004 Å |
| b |
12.3109 ± 0.0006 Å |
| c |
14.8982 ± 0.0009 Å |
| α |
67.826 ± 0.002° |
| β |
83.41 ± 0.002° |
| γ |
88.031 ± 0.002° |
| Cell volume |
912.9 ± 0.1 Å3 |
| Cell temperature |
193 K |
| Ambient diffraction temperature |
193 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0903 |
| Residual factor for significantly intense reflections |
0.0533 |
| Weighted residual factors for significantly intense reflections |
0.1216 |
| Weighted residual factors for all reflections included in the refinement |
0.1498 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
| 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/7061801.html
