Information card for entry 7150720

Structure parameters

• Formula: C30 H35 F2 N O2
• Calculated formula: C30 H35 F2 N O2
• 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: 9.4492 ± 0.0004 Å
• b: 16.4318 ± 0.0008 Å
• c: 16.9333 ± 0.0007 Å
• α: 90°
• β: 96.75 ± 0.003°
• γ: 90°
• Cell volume: 2611 ± 0.2 ų
• Cell temperature: 223 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1894
• Residual factor for significantly intense reflections: 0.1624
• Weighted residual factors for significantly intense reflections: 0.4312
• Weighted residual factors for all reflections included in the refinement: 0.4509
• Goodness-of-fit parameter for all reflections included in the refinement: 3.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No