Information card for entry 4107883

Structure parameters

• Formula: C15 H18 N2 O3
• Calculated formula: C15 H18 N2 O3
• SMILES: N1(C(=O)N(C(C1=O)c1ccccc1)C(=O)C)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: 9.4261 ± 0.0003 Å
• b: 19.5939 ± 0.0006 Å
• c: 7.9784 ± 0.0002 Å
• α: 90°
• β: 103.533 ± 0.002°
• γ: 90°
• Cell volume: 1432.65 ± 0.07 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: 0.0889
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No