Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543336
Preview
| Coordinates | 1543336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 N O7 |
|---|---|
| Calculated formula | C10 H11.5 N0.5 O3.5 |
| SMILES | O=C1[C@@]2(c3c(O)c(c(O)c(C(=O)C)c3O[C@]2(OCC)CC(=O)C\1=C(N)\C)C)C |
| Title of publication | Usnic Acid Derivatives with Cytotoxic and Antifungal Activities from the Lichen Usnea longissima. |
| Authors of publication | Yu, Xuelong; Guo, Qiang; Su, Guozhu; Yang, Ailin; Hu, Zhongdong; Qu, Changhai; Wan, Zhe; Li, Ruoyu; Tu, Pengfei; Chai, Xingyun |
| Journal of publication | Journal of natural products |
| Year of publication | 2016 |
| Journal volume | 79 |
| Journal issue | 5 |
| Pages of publication | 1373 - 1380 |
| a | 11.6293 ± 0.0002 Å |
| b | 9.9961 ± 0.0002 Å |
| c | 16.9428 ± 0.0002 Å |
| α | 90° |
| β | 93.84 ± 0.001° |
| γ | 90° |
| Cell volume | 1965.14 ± 0.06 Å3 |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.034 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183586 (current) | 2016-06-17 | cif/ Updating files of 1543335, 1543336 Original log message: Adding full bibliography for 1543335--1543336.cif. |
1543336.cif |
| 183015 | 2016-05-19 | cif/ Adding structures of 1543336 via cif-deposit CGI script. |
1543336.cif |
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.