Information card for entry 1517564

Structure parameters

• Formula: C24 H19 F3 N2 O
• Calculated formula: C24 H19 F3 N2 O
• SMILES: FC(F)(F)c1c2c(oc1/C=N/N(Cc1ccccc1)Cc1ccccc1)cccc2
• 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: 8.7161 ± 0.0004 Å
• b: 44.918 ± 0.002 Å
• c: 5.2061 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2038.24 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2169
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No