Information card for entry 2214041

Structure parameters

• Common name: 2,3-bis(2-trifluoromethylphenylimino)butane
• Chemical name: 2,3-Bis[2-(trifluoromethyl)phenylimino]butane
• Formula: C18 H14 F6 N2
• Calculated formula: C18 H14 F6 N2
• SMILES: CC(=N\c1ccccc1C(F)(F)F)/C(=N/c1ccccc1C(F)(F)F)C
• Title of publication: 2,3-Bis[2-(trifluoromethyl)phenylimino]butane
• Authors of publication: Bomfim, João A. S.; Dias, Marcos L.; Filgueiras, Carlos A. L.; Visentin, Lorenzo do C.; Bordinhao, Jairo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3150 - o3151
• a: 10.472 ± 0.002 Å
• b: 7.6884 ± 0.0015 Å
• c: 10.885 ± 0.002 Å
• α: 90°
• β: 95.26 ± 0.03°
• γ: 90°
• Cell volume: 872.7 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.1339
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes