Information card for entry 7150721

Structure parameters

• Formula: C30 H35 F2 N O3
• Calculated formula: C30 H35 F2 N O3
• Title of publication: New organofluorine building blocks: inhibition of the malarial aspartic proteases plasmepsin II and IV by alicyclic α,α-difluoroketone hydrates
• Authors of publication: Fäh, Christoph; Hardegger, Leo A.; Baitsch, Lukas; Schweizer, W. Bernd; Meyer, Solange; Bur, Daniel; Diederich, François
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 19
• Pages of publication: 3947 - 3957
• a: 15.0801 ± 0.0005 Å
• b: 18.6531 ± 0.0007 Å
• c: 19.704 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5542.6 ± 0.3 ų
• Cell temperature: 233 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2026
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.373
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No