Information card for entry 2202883

Structure parameters

• Chemical name: [3,5-Bis(trifluoromethyl)phenyl]{(E)-2-[(E)-3,5- bis(trifluoromethyl)phenylimino]-1-methylpropylidene}amine
• Formula: C20 H12 F12 N2
• Calculated formula: C20 H12 F12 N2
• SMILES: CC(=N\c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/C(=N/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
• Title of publication: [3,5-Bis(trifluoromethyl)phenyl]{(<i>E</i>)-2-[(<i>E</i>)-3,5-bis(trifluoromethyl)phenylimino]-1-methylpropylidene}amine
• Authors of publication: Helen L. Aberdeen; Robert E. Allan; Jonathan D. Crane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1896 - o1897
• a: 8.1406 ± 0.0012 Å
• b: 8.2225 ± 0.0012 Å
• c: 8.7087 ± 0.0013 Å
• α: 82.044 ± 0.012°
• β: 71.59 ± 0.011°
• γ: 68.264 ± 0.011°
• Cell volume: 513.62 ± 0.14 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: 0.0793
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes