Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556710
Preview
| Coordinates | 1556710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H32 O6 |
|---|---|
| Calculated formula | C25 H32 O6 |
| SMILES | O=C1O[C@@H]([C@]2(O)[C@@]31[C@]1(CC[C@H]4[C@@](C=CC(=O)OC4(C)C)([C@@H]1C[C@](C)(C3=C)C2=O)C)C)C |
| Title of publication | Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus |
| Authors of publication | Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2019 |
| a | 8.10721 ± 0.00004 Å |
| b | 9.16946 ± 0.00003 Å |
| c | 15.13501 ± 0.00004 Å |
| α | 90° |
| β | 103.244 ± 0.0003° |
| γ | 90° |
| Cell volume | 1095.19 ± 0.007 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.887 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245533 (current) | 2019-12-24 | cif/ Adding structures of 1556710 via cif-deposit CGI script. |
1556710.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.