Information card for entry 2213509

Structure parameters

• Chemical name: N,N'-Bis[4-(trifluoromethyl)benzylidene]butane-1,4-diamine
• Formula: C20 H18 F6 N2
• Calculated formula: C20 H18 F6 N2
• SMILES: FC(c1ccc(cc1)/C=N/CCCC/N=C/c1ccc(cc1)C(F)(F)F)(F)F
• Title of publication: <i>N</i>,<i>N</i>'-Bis[4-(trifluoromethyl)benzylidene]butane-1,4-diamine
• Authors of publication: Habibi, Mohammad Hossein; Zendehdel, Mahmoud; Barati, Kazem; W. Harrington, Ross; Clegg, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2515 - o2516
• a: 11.0107 ± 0.0016 Å
• b: 9.8541 ± 0.0014 Å
• c: 8.6457 ± 0.0013 Å
• α: 90°
• β: 97.266 ± 0.002°
• γ: 90°
• Cell volume: 930.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes