Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557937
Preview
| Coordinates | 1557937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H27 N3 O3 S2 |
|---|---|
| Calculated formula | C20 H27 N3 O3 S2 |
| SMILES | S([C@@]1(N(C(=O)[C@](OC)(NC1=O)[C@H](SC)c1c2c([nH]c1)cccc2)C)C(C)C)C |
| Title of publication | Phaeosphaones: Tyrosinase Inhibitory Thiodiketopiperazines from an Endophytic Phaeosphaeria fuckelii |
| Authors of publication | Zhai, Yi-Jie; Huo, Guang-Ming; Zhang, Qiang; Li, Ding; Wang, Da-Cheng; Qi, Jian-Zhao; Han, Wen-Bo; Gao, Jin-Ming |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 9.8333 ± 0.0003 Å |
| b | 10.2552 ± 0.0003 Å |
| c | 20.877 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2105.29 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 149.99 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0879 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251238 (current) | 2020-04-28 | cif/ Adding structures of 1557937 via cif-deposit CGI script. |
1557937.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.