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Information card for entry 7245187
Preview
| Coordinates | 7245187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H35 F O7 |
|---|---|
| Calculated formula | C28 H35 F O7 |
| SMILES | F[C@@]12[C@]3(C=CC(=O)C=C3CC[C@H]1[C@@H]1C[C@H]([C@@](O)([C@]1(C[C@@H]2O)C)C(=O)CO)C)C.Oc1ccccc1O |
| Title of publication | Expanding the solid-state landscape of dexamethasone: a specific sandwich structure in facilitating the formation of kinetically stable cocrystals from mechanochemistry |
| Authors of publication | Wong, Si Nga; Low, Kam-Hung; Weng, Jingwen; Chan, Ho Wan; Chow, Shing Fung |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 16.9895 ± 0.0007 Å |
| b | 6.1074 ± 0.0002 Å |
| c | 12.0498 ± 0.0009 Å |
| α | 90° |
| β | 101.833 ± 0.006° |
| γ | 90° |
| Cell volume | 1223.74 ± 0.11 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 R(I) for significantly intense reflections | 0.09165 |
| Goodness-of-fit parameter for all reflections | 2.24889 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276824 (current) | 2022-07-23 | cif/ Adding structures of 7245187, 7245188 via cif-deposit CGI script. |
7245187.cif |
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