Information card for entry 4135251

Structure parameters

• Formula: C23 H25 Br N2 O3
• Calculated formula: C23 H25 Br N2 O3
• Title of publication: Direct Conversion of <i>N</i>-Alkylamines to <i>N</i>-Propargylamines through C-H Activation Promoted by Lewis Acid/Organocopper Catalysis: Application to Late-Stage Functionalization of Bioactive Molecules.
• Authors of publication: Chan, Jessica Z.; Yesilcimen, Ahmet; Cao, Min; Zhang, Yuyang; Zhang, Bochao; Wasa, Masayuki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 31.963 ± 0.0017 Å
• b: 9.805 ± 0.0005 Å
• c: 15.0555 ± 0.0008 Å
• α: 90°
• β: 112.711 ± 0.003°
• γ: 90°
• Cell volume: 4352.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No