Information card for entry 1517565

Structure parameters

• Formula: C18 H17 F3 N2
• Calculated formula: C18 H17 F3 N2
• SMILES: FC(F)(F)/C=C/C=N/N(Cc1ccccc1)Cc1ccccc1
• Title of publication: Copper-Catalyzed β-Trifluoromethylation of Conjugated Hydrazones.
• Authors of publication: Prieto, Alexis; Jeamet, Emeric; Monteiro, Nuno; Bouyssi, Didier; Baudoin, Olivier
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 4770 - 4773
• a: 9.1115 ± 0.0008 Å
• b: 9.831 ± 0.0009 Å
• c: 11.399 ± 0.0012 Å
• α: 82.792 ± 0.008°
• β: 67.088 ± 0.009°
• γ: 63.638 ± 0.009°
• Cell volume: 841.31 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.074
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0559
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No