Information card for entry 4126353

Structure parameters

• Common name: sk-IV-191
• Formula: C16 H18 N4 O2
• Calculated formula: C16 H18 N4 O2
• Title of publication: Copper-Catalyzed Alkene Aminoazidation as a Rapid Entry to 1,2-Diamines and Installation of an Azide Reporter onto Azahetereocycles.
• Authors of publication: Shen, Kun; Wang, Qiu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 5.7744 ± 0.0001 Å
• b: 34.6741 ± 0.0008 Å
• c: 7.5977 ± 0.0002 Å
• α: 90°
• β: 105.792 ± 0.0013°
• γ: 90°
• Cell volume: 1463.81 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0696
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No