Information card for entry 4303621

Structure parameters

• Common name: phenacyl alcohol, calcium complex
• Chemical name: 2'-hydroxyacetophenone, calcium complex
• Formula: C16 H24 Ca Cl2 O8
• Calculated formula: C16 H24 Ca Cl2 O8
• 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: 7.374 ± 0.003 Å
• b: 23.314 ± 0.005 Å
• c: 12.458 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2141.7 ± 1.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections: 0.64
• Goodness-of-fit parameter for all reflections included in the refinement: 0.64
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No