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Information card for entry 7125699
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| Coordinates | 7125699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Guaianelactone C |
|---|---|
| Chemical name | (4R,7S,7aS,10R,10aR)-10-hydroxy-7,10-dimethyl-3-methyleneoctahydro-4,10a-methanocyclopenta[b]oxonin-2(3H)-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 | 9.72709 ± 0.00004 Å |
| b | 9.72709 ± 0.00004 Å |
| c | 28.60837 ± 0.00018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2706.82 ± 0.02 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0266 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248802 (current) | 2020-03-05 | cif/ Updating files of 7125698, 7125699 Original log message: Adding full bibliography for 7125698--7125699.cif. |
7125699.cif |
| 246289 | 2019-12-28 | cif/ Adding structures of 7125698, 7125699 via cif-deposit CGI script. |
7125699.cif |
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Users of the data should acknowledge the original authors of the
structural data.