Information card for entry 2243004

Structure parameters

• Chemical name: 2,3,5,6-Tetrafluoro-4-[(naphthalen-2-yl)oxy]pyridine
• Formula: C15 H7 F4 N O
• Calculated formula: C15 H7 F4 N O
• SMILES: Fc1nc(F)c(F)c(Oc2cc3ccccc3cc2)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: 5.4703 ± 0.0005 Å
• b: 9.2548 ± 0.0009 Å
• c: 24.109 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1220.56 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes