Information card for entry 2210444

Structure parameters

• Chemical name: N,N'-[(2,3,5,6-Tetrafluoro-1,4-phenylene)dimethylene]bis(pyridine-4-carboxamide)
• Formula: C20 H14 F4 N4 O2
• Calculated formula: C20 H14 F4 N4 O2
• SMILES: O=C(c1ccncc1)NCc1c(F)c(F)c(c(c1F)F)CNC(=O)c1ccncc1
• Title of publication: <i>N</i>,<i>N</i>'-[(2,3,5,6-Tetrafluoro-1,4-phenylene)dimethylene]bis(pyridine-4-carboxamide)
• Authors of publication: Ming-Yang He; Sheng-Chun Chen; Qun Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3716 - o3717
• a: 8.3488 ± 0.0017 Å
• b: 5.1431 ± 0.0011 Å
• c: 20.665 ± 0.004 Å
• α: 90°
• β: 91.843 ± 0.002°
• γ: 90°
• Cell volume: 886.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes