Information card for entry 2232470

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(2,6-difluorobenzylidene)ethane-1,2-diamine
• Formula: C16 H12 F4 N2
• Calculated formula: C16 H12 F4 N2
• SMILES: Fc1cccc(c1/C=N/CC/N=C/c1c(F)cccc1F)F
• Title of publication: (<i>E</i>,<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(2,6-difluorobenzylidene)ethane-1,2-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: o3107
• a: 7.3304 ± 0.001 Å
• b: 10.5414 ± 0.0015 Å
• c: 9.2106 ± 0.0013 Å
• α: 90°
• β: 105.487 ± 0.002°
• γ: 90°
• Cell volume: 685.89 ± 0.17 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes