Information card for entry 4126354

Structure parameters

• Common name: sk-V-148
• Formula: C19 H28 N2 O4
• Calculated formula: C19 H28 N2 O4
• SMILES: O(C(=O)N[C@@H](c1ccccc1)[C@@H]1N(OC)C(=O)C(C1)(C)C)C(C)(C)C.O(C(=O)N[C@H](c1ccccc1)[C@H]1N(OC)C(=O)C(C1)(C)C)C(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: 16.6582 ± 0.0011 Å
• b: 11.872 ± 0.0008 Å
• c: 10.1303 ± 0.0006 Å
• α: 90°
• β: 107.307 ± 0.003°
• γ: 90°
• Cell volume: 1912.7 ± 0.2 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: 0.0535
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No