Information card for entry 1502274

Structure parameters

• Formula: C24 H18 F3 N O2
• Calculated formula: C24 H18 F3 N O2
• SMILES: FC(F)(F)c1ccc(C2N(=O)=C(C2=Cc2ccccc2)c2ccc(OC)cc2)cc1
• Title of publication: Regioselective transformation of O-propargylic arylaldoximes to four-membered cyclic nitrones by copper-catalyzed skeletal rearrangement.
• Authors of publication: Nakamura, Itaru; Araki, Toshiharu; Zhang, Dong; Kudo, Yu; Kwon, Eunsang; Terada, Masahiro
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 3616 - 3619
• a: 9.8 ± 0.004 Å
• b: 9.819 ± 0.004 Å
• c: 21.005 ± 0.008 Å
• α: 79.398 ± 0.011°
• β: 80.237 ± 0.011°
• γ: 79.763 ± 0.012°
• Cell volume: 1935.4 ± 1.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No