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Information card for entry 2312620
Preview
| Coordinates | 2312620.cif |
|---|---|
| Structure factors | 2312620.hkl |
| Original IUCr paper | HTML |
| Common name | Matrine 1.75-hydrate |
|---|---|
| Chemical name | (1<i>R</i>,2<i>R</i>,9<i>S</i>,17<i>S</i>)-7,13-Diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecan-6-one 1.75-hydrate |
| Formula | C15 H27.5 N2 O2.75 |
| Calculated formula | C15 H27.5 N2 O2.75 |
| Title of publication | Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms. |
| Authors of publication | Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 10 |
| a | 11.7364 ± 0.0003 Å |
| b | 11.7364 ± 0.0003 Å |
| c | 21.9295 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3020.64 ± 0.17 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0407 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294362 (current) | 2024-09-04 | cif/ hkl/ Adding structures of 2312618, 2312619, 2312620 via cif-deposit CGI script. |
2312620.cif 2312620.hkl |
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Users of the data should acknowledge the original authors of the
structural data.