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Information card for entry 7229500
Preview
| Coordinates | 7229500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H28 O4 |
|---|---|
| Calculated formula | C16 H28 O4 |
| SMILES | O1[C@@]23O[C@@H]([C@H]1CC[C@@H]3[C@H](O)CC[C@@H]2O)CCCCCC |
| 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 | 5.4518 ± 0.0005 Å |
| b | 12.6676 ± 0.0011 Å |
| c | 23.036 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1590.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1272 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
7229500.cif |
| 202599 | 2017-11-04 | cif/ Adding structures of 7229500, 7229501, 7229502, 7229503 via cif-deposit CGI script. |
7229500.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.