Information card for entry 2239638

Structure parameters

• Chemical name: 2,3,5,6-Tetrafluoro-1,4-bis({[(thiophen-2-yl)methylidene]amino}methyl)benzene
• Formula: C18 H12 F4 N2 S2
• Calculated formula: C18 H12 F4 N2 S2
• SMILES: Fc1c(F)c(C/N=C/c2cccs2)c(c(c1C/N=C/c1cccs1)F)F
• Title of publication: 2,3,5,6-Tetrafluoro-1,4-bis({[(thiophen-2-yl)methylidene]amino}methyl)benzene
• Authors of publication: Gao, Ning; Luo, Hai-Kun; Qin, Rui-Rui; He, Ming-Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o749
• a: 15.5 ± 0.007 Å
• b: 4.865 ± 0.002 Å
• c: 11.713 ± 0.006 Å
• α: 90°
• β: 95.371 ± 0.009°
• γ: 90°
• Cell volume: 879.4 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes