Information card for entry 4117447

Structure parameters

• Formula: C13 H24 N2 O3
• Calculated formula: C13 H24 N2 O3
• SMILES: O=C(NC(CC(=O)CC(NC(=O)C)(C)C)(C)C)C
• Title of publication: Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons
• Authors of publication: Quentin Michaudel; Damien Thevenet; Phil S. Baran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2547 - 2550
• a: 8.3933 ± 0.0004 Å
• b: 9.6118 ± 0.0004 Å
• c: 18.5236 ± 0.0008 Å
• α: 85.815 ± 0.002°
• β: 85.653 ± 0.002°
• γ: 89.719 ± 0.002°
• Cell volume: 1486.11 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No