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Information card for entry 1558918
Preview
| Coordinates | 1558918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 O4 |
|---|---|
| Calculated formula | C15 H20 O4 |
| SMILES | O1OC[C@H]2[C@@H]3[C@H](OC2=O)C/C(C)=C/CCC(=C)[C@@H]1C3 |
| Title of publication | Artemyrianolides A‒S, Cytotoxic Sesquiterpenoids from Artemisia myriantha |
| Authors of publication | Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 8.4795 ± 0.0002 Å |
| b | 10.1279 ± 0.0003 Å |
| c | 15.4669 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1328.29 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0301 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255669 (current) | 2020-08-27 | cif/ Adding structures of 1558918 via cif-deposit CGI script. |
1558918.cif |
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Users of the data should acknowledge the original authors of the
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