Information card for entry 2227927

Structure parameters

• Chemical name: [2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methanol
• Formula: C19 H16 F N O
• Calculated formula: C19 H16 F N O
• SMILES: OCc1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1
• Title of publication: [2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methanol
• Authors of publication: Sun, Hongshun; Xu, Hong; Li, Yu-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2987
• a: 10.069 ± 0.002 Å
• b: 24.683 ± 0.005 Å
• c: 13.275 ± 0.003 Å
• α: 90°
• β: 111.97 ± 0.03°
• γ: 90°
• Cell volume: 3059.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes