Information card for entry 2243006

Structure parameters

• Chemical name: 2,2'-Bis[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]-1,1'-biphenyl
• Formula: C22 H8 F8 N2 O2
• Calculated formula: C22 H8 F8 N2 O2
• SMILES: Fc1nc(F)c(F)c(Oc2c(cccc2)c2c(Oc3c(F)c(F)nc(F)c3F)cccc2)c1F
• Title of publication: Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines
• Authors of publication: Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1102 - 1107
• a: 18.8516 ± 0.0006 Å
• b: 10.6512 ± 0.0003 Å
• c: 9.2196 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1851.22 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes