Information card for entry 2220839

Structure parameters

• Chemical name: 2,3,5,6-Tetrafluoro-1,4-bis(2-pyridylmethyleneaminomethyl)benzene
• Formula: C20 H14 F4 N4
• Calculated formula: C20 H14 F4 N4
• SMILES: Fc1c(F)c(C/N=C/c2ccccn2)c(c(c1C/N=C/c1ccccn1)F)F
• Title of publication: 2,3,5,6-Tetrafluoro-1,4-bis(2-pyridylmethyleneaminomethyl)benzene
• Authors of publication: He, Ming-Yang; Li, Chao; Yang, Xu-Jie; Lu, Lu-De; Wang, Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o331
• a: 9.637 ± 0.003 Å
• b: 7.783 ± 0.003 Å
• c: 12.07 ± 0.004 Å
• α: 90°
• β: 105.94 ± 0.004°
• γ: 90°
• Cell volume: 870.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes