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Information card for entry 7245188
Preview
Coordinates | 7245188.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H35 F O7 |
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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.Oc1cc(O)ccc1 |
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 | 18.9012 ± 0.0007 Å |
b | 6.10485 ± 0.00019 Å |
c | 22.6364 ± 0.0015 Å |
α | 90° |
β | 109.25 ± 0.004° |
γ | 90° |
Cell volume | 2466 ± 0.2 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 | 0.09288 |
Goodness-of-fit parameter for all reflections | 2.45548 |
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. |
7245188.cif |
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