Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229501
Preview
| Coordinates | 7229501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H28 O4 |
|---|---|
| Calculated formula | C16 H28 O4 |
| SMILES | O1[C@@]23O[C@@H](CC[C@@H]3[C@H](O)CC[C@H]2O)[C@@H]1CCCCCC |
| Title of publication | Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi |
| Authors of publication | Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui |
| Journal of publication | RSC Advances |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 81 |
| Pages of publication | 51335 |
| a | 11.7535 ± 0.0011 Å |
| b | 5.4477 ± 0.0005 Å |
| c | 12.702 ± 0.0012 Å |
| α | 90° |
| β | 105.281 ± 0.004° |
| γ | 90° |
| Cell volume | 784.55 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1595 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229501.cif |
| 202599 | 2017-11-04 | cif/ Adding structures of 7229500, 7229501, 7229502, 7229503 via cif-deposit CGI script. |
7229501.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.