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Information card for entry 1553313
Preview
| Coordinates | 1553313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 O4 |
|---|---|
| Calculated formula | C14 H20 O4 |
| SMILES | O[C@]12COC(=C(C2=CC(=O)C[C@@H]1O)C)[C@H](C)CC |
| Title of publication | Hypoxia-Protective Azaphilone Adducts from Peyronellaea glomerata. |
| Authors of publication | Li, Tian-Xiao; Liu, Rui-Huan; Wang, Xiao-Bing; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi; Yang, Ming-Hua |
| Journal of publication | Journal of natural products |
| Year of publication | 2018 |
| Journal volume | 81 |
| Journal issue | 5 |
| Pages of publication | 1148 - 1153 |
| a | 15.7712 ± 0.0001 Å |
| b | 15.7712 ± 0.0001 Å |
| c | 10.4612 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2253.42 ± 0.03 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1869 |
| Weighted residual factors for all reflections included in the refinement | 0.187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234091 (current) | 2019-11-23 | cif/ Adding structures of 1553313 via cif-deposit CGI script. |
1553313.cif |
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Users of the data should acknowledge the original authors of the
structural data.