Information card for entry 2008381

Structure parameters

• Common name: fluoropyridyl-biphenyl
• Chemical name: 1-perfluoropyridyl-4-phenylbenzene
• Formula: C17 H9 F4 N
• Calculated formula: C17 H9 F4 N
• SMILES: Fc1c(c(F)c(F)nc1F)c1ccc(cc1)c1ccccc1
• Title of publication: 4-(4-Biphenyl)-2,3,5,6-tetrafluoropyridine, a new material for application in light-emitting diodes
• Authors of publication: Resel, Roland; Thurner, Philipp; Kahlert, Hartmut; Völlenkle, Horst; Winkler, Berthold; Müllner, Ruth; Stelzer, Franz; Tunega, Daniel; Leising, Günther
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 693 - 695
• a: 6.1418 ± 0.0002 Å
• b: 7.5325 ± 0.0001 Å
• c: 14.5931 ± 0.0005 Å
• α: 91.876 ± 0.002°
• β: 101.71 ± 0.001°
• γ: 95.106 ± 0.002°
• Cell volume: 657.55 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.167
• Weighted residual factors for significantly intense reflections: 0.135
• Goodness-of-fit parameter for all reflections: 1.189
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No