Information card for entry 3500095

Structure parameters

• 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 ų
• 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