Information card for entry 2213998

Structure parameters

• Chemical name: N,N'-[(2,3,5,6-Tetrafluoro-1,4-phenylene)dimethylene]bis(pyridine-2-carboxamide)
• Formula: C20 H14 F4 N4 O2
• Calculated formula: C20 H14 F4 N4 O2
• SMILES: Fc1c(F)c(CNC(=O)c2ccccn2)c(c(c1CNC(=O)c1ccccn1)F)F
• Title of publication: <i>N</i>,<i>N</i>'-[(2,3,5,6-Tetrafluoro-1,4-phenylene)dimethylene]bis(pyridine-2-carboxamide)
• Authors of publication: Sheng-Chun Chen; Fang-Hua Yin; Ming-Yang He; Kang Yan; Qun Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2835 - o2836
• a: 5.43 ± 0.0011 Å
• b: 7.043 ± 0.0014 Å
• c: 11.216 ± 0.002 Å
• α: 86.88 ± 0.03°
• β: 86.3 ± 0.03°
• γ: 78.08 ± 0.03°
• Cell volume: 418.44 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes