Information card for entry 7120252

Structure parameters

• Chemical name: 2-formyl-N-(5-(trifluoromethyl)pyridin-2-yl)quinoline-8-carboxamide
• Formula: C17.75 H11.5 F3 N3 O2.25
• Calculated formula: C17.75 H11.5 F3 N3 O2.25
• Title of publication: Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region
• Authors of publication: Fairhurst, Robin A.; Knoepfel, Thomas; Leblanc, Catherine; Buschmann, Nicole; Gaul, Christoph; Blank, Jutta; Galuba, Inga; Trappe, Jörg; Zou, Chao; Voshol, Johannes; Genick, Christine; Brunet-Lefeuvre, Peggy; Bitsch, Francis; Graus-Porta, Diana; Furet, Pascal
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2017
• a: 10.634 ± 0.002 Å
• b: 13.31 ± 0.003 Å
• c: 24.836 ± 0.006 Å
• α: 75.38 ± 0.011°
• β: 87.42 ± 0.011°
• γ: 67.005 ± 0.013°
• Cell volume: 3125.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No