Information card for entry 1555999

Structure parameters

• Formula: C17 H17 N O3
• Calculated formula: C17 H17 N O3
• SMILES: c1ccccc1C(=O)C(C)Nc1ccc(cc1)C(=O)OC
• Title of publication: Advanced Nitroso Aldol Reaction: Metal-Free Cross-Coupling of Anilines with Silyl Enol Ethers en Route to α-Amino Ketones.
• Authors of publication: Ramakrishna, Isai; Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 516 - 519
• a: 8.4056 ± 0.0003 Å
• b: 9.8583 ± 0.0003 Å
• c: 10.2022 ± 0.0003 Å
• α: 69.4122 ± 0.0016°
• β: 78.7895 ± 0.0016°
• γ: 71.4852 ± 0.0016°
• Cell volume: 747.18 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No