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Information card for entry 1543335
Preview
| Coordinates | 1543335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H17 N O6 |
|---|---|
| Calculated formula | C18 H17 N O6 |
| SMILES | O=C1/C(=C(\N)C)C(=O)[C@]2(C(=C1)Oc1c(c(O)c(C)c(O)c21)C(=O)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 | 17.138 ± 0.002 Å |
| b | 9.7525 ± 0.0005 Å |
| c | 13.831 ± 0.002 Å |
| α | 90° |
| β | 134.45 ± 0.03° |
| γ | 90° |
| Cell volume | 1650.2 ± 0.9 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 |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543335.cif |
| 214153 | 2019-03-18 | cif/1 Fixing Z values and formulae |
1543335.cif |
| 183586 | 2016-06-17 | cif/ Updating files of 1543335, 1543336 Original log message: Adding full bibliography for 1543335--1543336.cif. |
1543335.cif |
| 183014 | 2016-05-19 | cif/ Adding structures of 1543335 via cif-deposit CGI script. |
1543335.cif |
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Users of the data should acknowledge the original authors of the
structural data.