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Information card for entry 1558917
Preview
| Coordinates | 1558917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 O4 |
|---|---|
| Calculated formula | C15 H20 O4 |
| SMILES | O=C1O[C@@H]2C[C@]3(O[C@H](C(=C)CC[C@@H]3O)C[C@@H]2C1=C)C |
| 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 | 5.6085 ± 0.0002 Å |
| b | 15.2308 ± 0.0004 Å |
| c | 7.9538 ± 0.0002 Å |
| α | 90° |
| β | 98.2 ± 0.001° |
| γ | 90° |
| Cell volume | 672.48 ± 0.03 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 | 0.0265 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255668 (current) | 2020-08-27 | cif/ Adding structures of 1558917 via cif-deposit CGI script. |
1558917.cif |
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Users of the data should acknowledge the original authors of the
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