Information card for entry 4303623

Structure parameters

• Common name: hydrocortisone, calcium complex
• Formula: C21 H38 Ca Cl2 O9
• Calculated formula: C21 H38 Ca Cl2 O9
• Title of publication: Calcium Complexation by Corticosteroids
• Authors of publication: Melanie R. Hauser; Kenneth M. Doxsee; Håkon Hope
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10780 - 10788
• a: 6.31 ± 0.002 Å
• b: 14.144 ± 0.003 Å
• c: 29.431 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2626.7 ± 1.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections: 2.21
• Goodness-of-fit parameter for all reflections included in the refinement: 2.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No