Information card for entry 2239430

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-[(2<i>E</i>,3<i>E</i>)-Butane-2,3-diylidene]bis[4-fluoro-2-(1-phenylethyl)aniline]
• Formula: C32 H30 F2 N2
• Calculated formula: C32 H30 F2 N2
• SMILES: Fc1ccc(c(c1)[C@H](c1ccccc1)C)/N=C(/C(=N/c1ccc(cc1[C@@H](c1ccccc1)C)F)C)C
• Title of publication: <i>N</i>,<i>N</i>'-[(2<i>E</i>,3<i>E</i>)-Butane-2,3-diylidene]bis[4-fluoro-2-(1-phenylethyl)aniline]
• Authors of publication: Wei, Juanjuan; She, Houde; Shi, Lijun; Lei, Ziqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o275
• a: 11.5335 ± 0.0011 Å
• b: 9.5024 ± 0.0012 Å
• c: 12.1318 ± 0.0014 Å
• α: 90°
• β: 91.66 ± 0.011°
• γ: 90°
• Cell volume: 1329 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes