Information card for entry 2240561
| Chemical name |
11-(2,3-Dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0^1,10^.0^2,7^]hexadeca-2(7),3,5-triene-9,13-dione |
| Formula |
C22 H22 N2 O5 |
| Calculated formula |
C22 H22 N2 O5 |
| SMILES |
COc1c(OC)c([C@@H]2OC(=O)[C@@]34[C@]2(C(=O)Nc2c4cccc2)CCN3C)ccc1.N1c2c([C@@]34[C@@]([C@H](OC4=O)c4c(OC)c(OC)ccc4)(C1=O)CCN3C)cccc2 |
| Title of publication |
Crystal structure of 11-(2,3-dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0^1,10^.0^2,7^]hexadeca-2(7),3,5-triene-9,13-dione |
| Authors of publication |
Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2015 |
| Journal volume |
71 |
| Journal issue |
5 |
| Pages of publication |
o293 - o294 |
| a |
10.136 ± 0.0004 Å |
| b |
10.3198 ± 0.0004 Å |
| c |
18.8973 ± 0.0007 Å |
| α |
89.079 ± 0.002° |
| β |
74.955 ± 0.002° |
| γ |
89.406 ± 0.002° |
| Cell volume |
1908.64 ± 0.13 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 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 |
0.0606 |
| Residual factor for significantly intense reflections |
0.0474 |
| Weighted residual factors for significantly intense reflections |
0.1161 |
| Weighted residual factors for all reflections included in the refinement |
0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.022 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2240561.html
