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Information card for entry 7157381
Preview
| Coordinates | 7157381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Xylarilongipin A |
|---|---|
| Formula | C19 H30 O3 |
| Calculated formula | C19 H30 O3 |
| SMILES | O.O[C@@]12[C@H]3[C@@](C45C(=C[C@H]3OC2)CC(C)(CC4)CC5)(CCC1)C |
| Title of publication | Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018. |
| Authors of publication | Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 13 |
| Pages of publication | 2410 - 2415 |
| a | 7.5487 ± 0.0002 Å |
| b | 6.7333 ± 0.0002 Å |
| c | 15.8235 ± 0.0005 Å |
| α | 90° |
| β | 93.459 ± 0.001° |
| γ | 90° |
| Cell volume | 802.81 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157381.cif |
| 250365 | 2020-04-05 | cif/ Updating files of 7157381, 7157382, 7157383 Original log message: Adding full bibliography for 7157381--7157383.cif. |
7157381.cif |
| 249222 | 2020-03-10 | cif/ Adding structures of 7157381, 7157382, 7157383 via cif-deposit CGI script. |
7157381.cif |
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