Information card for entry 2216448

Structure parameters

• Chemical name: N,N'-[(2,3,5,6-Tetrafluoro-1,4-phenylene)dimethylene]bis(pyridine-3-carboxamide)
• Formula: C20 H14 F4 N4 O2
• Calculated formula: C20 H14 F4 N4 O2
• SMILES: Fc1c(F)c(CNC(=O)c2cccnc2)c(c(c1CNC(=O)c1cccnc1)F)F
• Title of publication: <i>N</i>,<i>N</i>'-[(2,3,5,6-Tetrafluoro-1,4-phenylene)dimethylene]bis(pyridine-3-carboxamide)
• Authors of publication: Shengchun Chen; Qun Chen; Qi Liu; Chao Li; Mingyang He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4550 - o4550
• a: 11.5786 ± 0.0018 Å
• b: 5.0624 ± 0.0008 Å
• c: 16.259 ± 0.003 Å
• α: 90°
• β: 107.542 ± 0.002°
• γ: 90°
• Cell volume: 908.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes