Information card for entry 7054486

Structure parameters

• Formula: C19 H11 F4 N O2
• Calculated formula: C19 H11 F4 N O2
• SMILES: Fc1c(/C=C/c2nc3c(cc2)cccc3OC(=O)C)cc(F)c(F)c1F
• Title of publication: Comparative studies on OLED performances of chloro and fluoro substituted Zn(ii) 8-hydroxyquinolinates
• Authors of publication: Huo, Yanping; Lu, Jiguo; Lu, Tianhua; Fang, Xiaoming; Ouyang, Xinhua; Zhang, Li; Yuan, Guozan
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 333
• a: 8.3016 ± 0.0003 Å
• b: 12.104 ± 0.0004 Å
• c: 16.4292 ± 0.0005 Å
• α: 90°
• β: 98.436 ± 0.003°
• γ: 90°
• Cell volume: 1632.99 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No