Information card for entry 2237811

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-2-(trifluoromethyl)aniline
• Formula: C22 H16 F3 N
• Calculated formula: C22 H16 F3 N
• SMILES: FC(c1ccccc1/N=C/C=C(c1ccccc1)c1ccccc1)(F)F
• Title of publication: (<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-2-(trifluoromethyl)aniline
• Authors of publication: Yu, Byung-Yong; Lee, Ji Eun; Cho, Yong Seo; Cha, Joo Hwan; Lee, Jae Kyun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o757
• a: 8.6733 ± 0.0008 Å
• b: 11.8116 ± 0.0009 Å
• c: 17.6227 ± 0.0015 Å
• α: 90°
• β: 95.661 ± 0.003°
• γ: 90°
• Cell volume: 1796.6 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes