Information card for entry 2232471

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-<i>N</i>^1^,<i>N</i>^4^-Bis(2,6-difluorobenzylidene)butane-1,4-diamine
• Formula: C18 H16 F4 N2
• Calculated formula: C18 H16 F4 N2
• SMILES: Fc1cccc(c1/C=N/CCCC/N=C/c1c(F)cccc1F)F
• Title of publication: (<i>E</i>,<i>E</i>)-<i>N</i>^1^,<i>N</i>^4^-Bis(2,6-difluorobenzylidene)butane-1,4-diamine
• Authors of publication: Khaledi, Mohammad; Kia, Reza; Clegg, William; Harrington, Ross W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3108
• a: 6.4672 ± 0.0008 Å
• b: 8.9296 ± 0.0012 Å
• c: 14.4939 ± 0.0019 Å
• α: 104.956 ± 0.002°
• β: 94.474 ± 0.002°
• γ: 93.679 ± 0.002°
• Cell volume: 803.1 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes