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Information card for entry 3500095
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| Coordinates | 3500095.cif |
|---|---|
| Structure factors | 3500095.hkl |
| Common name | desonide |
|---|---|
| Chemical name | Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione |
| Formula | C24 H32 O6 |
| Calculated formula | C24 H32 O6 |
| Title of publication | Desonide |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 9.1629 ± 0.0002 Å |
| b | 9.1629 ± 0.0002 Å |
| c | 50.2545 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4219.3 ± 0.16 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 3 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247091 (current) | 2020-01-22 | cif/ hkl/ Adding structures of 3500095 via cif-deposit CGI script. |
3500095.cif 3500095.hkl |
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