Information card for entry 4107882

Structure parameters

• Formula: C17 H24 N2 O2
• Calculated formula: C17 H24 N2 O2
• SMILES: O=C1N(C(=O)C(N1C(C)(C)C)c1ccccc1)C(C)(C)C
• Title of publication: A Cu(I)-Catalyzed C-H α-Amination of Esters. Direct Synthesis of Hydantoins
• Authors of publication: Baoguo Zhao; Haifeng Du; Yian Shi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7220 - 7221
• a: 15.2815 ± 0.0003 Å
• b: 10.8506 ± 0.0002 Å
• c: 20.2006 ± 0.0003 Å
• α: 90°
• β: 104.951 ± 0.001°
• γ: 90°
• Cell volume: 3236.14 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No