Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2000545
Preview
| Coordinates | 2000545.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C29 H31 N3 O5 |
|---|---|
| Calculated formula | C29 H31 N3 O5 |
| SMILES | CCOC(=O)[C@H]1Cc2cc(OC)c(cc2[C@]2(N1C(=NN2c1ccccc1)c1ccc(cc1)OC)C)OC.CCOC(=O)[C@@H]1Cc2cc(OC)c(cc2[C@@]2(N1C(=NN2c1ccccc1)c1ccc(cc1)OC)C)OC |
| Title of publication | Structure of ethyl 8,9-dimethoxy-3-(4-methoxyphenyl)-10b-methyl-1-phenyl-4,5,6,10b-tetrahydro-1,2,4-triazolo[3,4-<i>a</i>]isoquinoline-5-carboxylate |
| Authors of publication | Theobald, F.; Rodier, N.; Moustaid, K.; Laude, B. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 10 |
| Pages of publication | 1846 - 1848 |
| a | 23.867 ± 0.002 Å |
| b | 9.492 ± 0.001 Å |
| c | 11.615 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2631.3 ± 0.4 Å3 |
| Number of distinct elements | 4 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | Cu |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
Version history is temporarily not available due to server issues.
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.