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Information card for entry 1549030
Preview
| Coordinates | 1549030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 O3 |
|---|---|
| Calculated formula | C15 H20 O3 |
| SMILES | O=CC1=C2CCC[C@@H]([C@]2(C[C@@H]1C(=C)C(=O)O)C)C |
| Title of publication | Nitric Oxide Inhibitory Sesquiterpenoids and Its Dimers from Artemisia freyniana. |
| Authors of publication | Zhang, Chen; Wen, Ran; Ma, Xiao-Li; Zeng, Ke-Wu; Xue, Yang; Zhang, Pu-Ming; Zhao, Ming-Bo; Jiang, Yong; Liu, Guo-Qing; Tu, Peng-Fei |
| Journal of publication | Journal of natural products |
| Year of publication | 2018 |
| a | 6.83018 ± 0.00008 Å |
| b | 26.1293 ± 0.0003 Å |
| c | 7.49108 ± 0.00009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1336.92 ± 0.03 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| 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 |
|---|---|---|---|
| 206864 (current) | 2018-03-10 | cif/ Adding structures of 1549030 via cif-deposit CGI script. |
1549030.cif |
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Users of the data should acknowledge the original authors of the
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