Information card for entry 8105589
| Formula |
C24 H29 N5 O |
| Calculated formula |
C24 H29 N5 O |
| Title of publication |
Crystal structure of 6-amino-8-(4-isopropylphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile-ethanol (1/1), C24H29N5O |
| Authors of publication |
Liu, Xian-Chang; Zhang, Pei-Pei; Wang, Yong |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2019 |
| Journal volume |
234 |
| Journal issue |
2 |
| Pages of publication |
199 - 200 |
| a |
10.352 ± 0.009 Å |
| b |
10.911 ± 0.01 Å |
| c |
12.48 ± 0.006 Å |
| α |
97.33 ± 0.02° |
| β |
110.29 ± 0.02° |
| γ |
115.353 ± 0.015° |
| Cell volume |
1129.7 ± 1.6 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296.15 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1196 |
| Residual factor for significantly intense reflections |
0.0614 |
| Weighted residual factors for significantly intense reflections |
0.161 |
| Weighted residual factors for all reflections included in the refinement |
0.1855 |
| 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/8105589.html
