Information card for entry 2239592

Structure parameters

• Chemical name: 2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene
• Formula: C20 H16 F4 N2 S2
• Calculated formula: C20 H16 F4 N2 S2
• SMILES: Fc1c(C/N=C/c2ccc(s2)C)c(F)c(c(c1F)C/N=C/c1ccc(s1)C)F
• Title of publication: 2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene
• Authors of publication: 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: 6
• Pages of publication: o698
• a: 9.472 ± 0.002 Å
• b: 8.8083 ± 0.0019 Å
• c: 12.335 ± 0.003 Å
• α: 90°
• β: 111.459 ± 0.004°
• γ: 90°
• Cell volume: 957.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes