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Information card for entry 7155978
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| Coordinates | 7155978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Withapubeside A |
|---|---|
| Formula | C41 H67 O16 |
| Calculated formula | C41 H67 O16 |
| Title of publication | Withapubesides A‒D, natural inducible nitric oxide synthase (iNOS) inhibitors from Physalis pubescens |
| Authors of publication | Xia, Guiyang; Yao, Tie; Zhang, Bing-Yang; Li, Yang; Kang, Ning; Cao, Shijie; Ding, Liqin; Chen, Lixia; Qiu, Feng |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2017 |
| a | 7.9929 ± 0.0004 Å |
| b | 9.2895 ± 0.0005 Å |
| c | 54.987 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4082.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0876 |
| Residual factor for significantly intense reflections | 0.0756 |
| Weighted residual factors for significantly intense reflections | 0.1749 |
| Weighted residual factors for all reflections included in the refinement | 0.1829 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203145 (current) | 2017-11-14 | cif/ Adding structures of 7155978 via cif-deposit CGI script. |
7155978.cif |
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Users of the data should acknowledge the original authors of the
structural data.