Information card for entry 2209793

Structure parameters

• Chemical name: 2,3-5,6-Tetrafluoro-1,4-di-4-pyridylbenzene
• Formula: C16 H8 F4 N2
• Calculated formula: C16 H8 F4 N2
• SMILES: Fc1c(F)c(c2ccncc2)c(c(c1c1ccncc1)F)F
• Title of publication: 2,3-5,6-Tetrafluoro-1,4-di-4-pyridylbenzene
• Authors of publication: Ferrer, Montserrat; Gutiérrez, Albert; Mounir, Mounia; Solans, Xavier; Font-Bardia, Mercè
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3213 - o3214
• a: 17.126 ± 0.01 Å
• b: 5.919 ± 0.005 Å
• c: 12.376 ± 0.008 Å
• α: 90°
• β: 100.56 ± 0.03°
• γ: 90°
• Cell volume: 1233.3 ± 1.5 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes