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Information card for entry 1559277
Preview
| Coordinates | 1559277.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H34 N O2 |
|---|---|
| Calculated formula | C28 H34 N O2 |
| Title of publication | A Novel Co-Crystal of Bexarotene and Ligustrazine Improves Pharmacokinetics and Tissue Distribution of Bexarotene in SD Rats. |
| Authors of publication | Ren, Shuyue; Jiao, Lingtai; Yang, Shiying; Zhang, Li; Song, Junke; Yu, Haoying; Wang, Jingrong; Lv, Tingting; Sun, Lan; Lu, Yang; Du, Guanhua |
| Journal of publication | Pharmaceutics |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 906 |
| a | 49.281 ± 0.02 Å |
| b | 8.517 ± 0.003 Å |
| c | 11.787 ± 0.004 Å |
| α | 90° |
| β | 100.41 ± 0.005° |
| γ | 90° |
| Cell volume | 4866 ± 3 Å3 |
| Cell temperature | 566 ± 2 K |
| Ambient diffraction temperature | 566.3 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0804 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1693 |
| Weighted residual factors for all reflections included in the refinement | 0.1887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559277.cif |
| 258175 | 2020-10-06 | cif/ Adding structures of 1559277 via cif-deposit CGI script. |
1559277.cif |
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Users of the data should acknowledge the original authors of the
structural data.