Information card for entry 4130493

Structure parameters

• Chemical name: 2-(Phenethylamino)-1-(pyrrolidin-1-yl)nonan-1-one
• Formula: C21 H35 I N2 O
• Calculated formula: C21 H35 I N2 O
• Title of publication: Chemo- and Stereoselective Transition-Metal-Free Amination of Amides with Azides.
• Authors of publication: Tona, Veronica; de la Torre, Aurélien; Padmanaban, Mohan; Ruider, Stefan; González, Leticia; Maulide, Nuno
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 27
• Pages of publication: 8348 - 8351
• a: 5.5248 ± 0.001 Å
• b: 15.134 ± 0.003 Å
• c: 26.429 ± 0.005 Å
• α: 90°
• β: 95.927 ± 0.008°
• γ: 90°
• Cell volume: 2198 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No