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Information card for entry 1543721
Preview
| Coordinates | 1543721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 O9 |
|---|---|
| Calculated formula | C19 H20 O9 |
| SMILES | O=c1oc2c(c3c1c(O)cc(OC)c3)[C@](O)(C)C[C@@H](OC)[C@@]12OC(=O)[C@H](O)C1 |
| Title of publication | Bioactive Dibenzo-α-pyrone Derivatives from the Endophytic FungusRhizopycnis vagumNitaf22 |
| Authors of publication | Lai, Daowan; Wang, Ali; Cao, Yuheng; Zhou, Kaiyi; Mao, Ziling; Dong, Xuejiao; Tian, Jin; Xu, Dan; Dai, Jungui; Peng, Yu; Zhou, Ligang; Liu, Yang |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2016 |
| a | 10.936 ± 0.0004 Å |
| b | 10.936 ± 0.0004 Å |
| c | 25.7965 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2671.83 ± 0.15 Å3 |
| Cell temperature | 103.1 K |
| Ambient diffraction temperature | 103.1 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 | 0.0283 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184588 (current) | 2016-07-22 | cif/ Adding structures of 1543721 via cif-deposit CGI script. |
1543721.cif |
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Users of the data should acknowledge the original authors of the
structural data.