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Information card for entry 7125698
Preview
| Coordinates | 7125698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Guaianelactone A |
|---|---|
| Chemical name | (1S,3aR,4R,7R,8aS)-4-hydroxy-1,4-dimethyl-9-methyleneoctahydro-1H-3a,7-(epoxyethano)azulen-10-one |
| Formula | C15 H22 O3 |
| Calculated formula | C15 H22 O3 |
| Title of publication | Pseudoguaianelactones A-C: three unusual sesquiterpenoids from Lindera glauca with anti-inflammatory activities by inhibiting the LPS-induced expression of iNOS and COX-2. |
| Authors of publication | Ruan, Qing-Feng; Jiang, Shi-Qin; Zheng, Xiao-Yun; Tang, Yu-Qian; Yang, Bao; Yi, Tao; Jin, Jing; Cui, Hui; Zhao, Zhongxiang |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 1517 - 1520 |
| a | 16.7954 ± 0.0001 Å |
| b | 10.6132 ± 0.0001 Å |
| c | 16.8783 ± 0.0001 Å |
| α | 90° |
| β | 119.057 ± 0.001° |
| γ | 90° |
| Cell volume | 2629.93 ± 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 | 0.0319 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125698.cif |
| 248802 | 2020-03-05 | cif/ Updating files of 7125698, 7125699 Original log message: Adding full bibliography for 7125698--7125699.cif. |
7125698.cif |
| 246289 | 2019-12-28 | cif/ Adding structures of 7125698, 7125699 via cif-deposit CGI script. |
7125698.cif |
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Users of the data should acknowledge the original authors of the
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