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Information card for entry 7160218
Preview
| Coordinates | 7160218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H42 O5 |
|---|---|
| Calculated formula | C29 H42 O5 |
| Title of publication | Highly oxygenated Steroids with Immunosuppressive activity from Solanum undatum |
| Authors of publication | Chen, Shushuai; Zheng, Chengyu; Yang, Guan-Zhou; Zhou, Jun-Su; He, Shijun; Fan, Yao Yue; Yue, Jian-Min |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 9.6163 ± 0.0003 Å |
| b | 7.9028 ± 0.0002 Å |
| c | 17.3878 ± 0.0005 Å |
| α | 90° |
| β | 103.888 ± 0.001° |
| γ | 90° |
| Cell volume | 1282.77 ± 0.06 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 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 | 0.0314 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295818 (current) | 2024-11-07 | cif/ Adding structures of 7160218 via cif-deposit CGI script. |
7160218.cif |
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Users of the data should acknowledge the original authors of the
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