Information card for entry 7226983
| Formula |
C19 H12 F3 N3 O2 |
| Calculated formula |
C19 H12 F3 N3 O2 |
| SMILES |
c12ccccc1nc1c3ccccc3N=C(C(c1n2)C(=O)OC)C(F)(F)F |
| Title of publication |
Facile Synthesis of Quinoxaline Annulated Perfluoroalkylated Benzoazepine Derivatives |
| Authors of publication |
Liu, Gang; Sun, Xuechun; Chen, Ling; Wu, Yueci; Han, Jing; Chen, Jie; Deng, Hongmei; Shao, Min; Zhang, Hui; Cao, Weiguo |
| Journal of publication |
RSC Adv. |
| Year of publication |
2016 |
| a |
7.828 ± 0.009 Å |
| b |
10.579 ± 0.011 Å |
| c |
20.74 ± 0.02 Å |
| α |
89.827 ± 0.014° |
| β |
81.363 ± 0.015° |
| γ |
89.786 ± 0.015° |
| Cell volume |
1698 ± 3 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 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 |
0.1904 |
| Residual factor for significantly intense reflections |
0.1206 |
| Weighted residual factors for significantly intense reflections |
0.3291 |
| Weighted residual factors for all reflections included in the refinement |
0.3577 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.086 |
| 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/7226983.html
