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Information card for entry 7235291
Preview
| Coordinates | 7235291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H37 N O7 |
|---|---|
| Calculated formula | C29 H37 N O7 |
| Title of publication | Synthesis and discovery of andrographolide derivatives as non-steroidal farnesoid X receptor (FXR) antagonists |
| Authors of publication | Liu, Zhuyun; Law, Wai-Kit; Wang, Decai; Nie, Xin; Sheng, Dekuan; Song, Genrui; Guo, Kai; Wei, Ping; Ouyang, Pingkai; Wong, Chi-Wai; Zhou, Guo-Chun |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 26 |
| Pages of publication | 13533 |
| a | 10.115 ± 0.002 Å |
| b | 8.791 ± 0.0018 Å |
| c | 15.671 ± 0.003 Å |
| α | 90° |
| β | 103.74 ± 0.03° |
| γ | 90° |
| Cell volume | 1353.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.133 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1442 |
| Weighted residual factors for all reflections included in the refinement | 0.1788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235291.cif |
| 232664 | 2019-11-23 | cif/ Adding structures of 7235291 via cif-deposit CGI script. |
7235291.cif |
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Users of the data should acknowledge the original authors of the
structural data.