Information card for entry 4126352

Structure parameters

• Common name: SK-V-166
• Formula: C19 H23 N3 O6
• Calculated formula: C19 H23 N3 O6
• SMILES: O=C1N(OC)[C@H](C[C@@H]1N1C(=O)c2ccccc2C1=O)CNC(=O)OC(C)(C)C.O=C1N(OC)[C@@H](C[C@H]1N1C(=O)c2ccccc2C1=O)CNC(=O)OC(C)(C)C
• 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: 14.2012 ± 0.0008 Å
• b: 10.1164 ± 0.0005 Å
• c: 13.3572 ± 0.0007 Å
• α: 90°
• β: 94.624 ± 0.003°
• γ: 90°
• Cell volume: 1912.72 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No