Information card for entry 7155860

Structure parameters

• Formula: C20 H16 N2 O
• Calculated formula: C20 H16 N2 O
• SMILES: O=C(c1ccccc1)/C(=N\c1ccccc1)Nc1ccccc1
• Title of publication: Copper-Catalyzed Oxidative Cross-coupling of α-Aminocarbonyl Compounds with Primary Amines toward 2-Oxo-acetamidines
• Authors of publication: Chen, Chuang; zhu, menghua; jiang, Lihui; Zeng, Zebing; yi, niannian; Xiang, Jiannan
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 22.372 ± 0.002 Å
• b: 8.6007 ± 0.0009 Å
• c: 20.507 ± 0.003 Å
• α: 90°
• β: 121.939 ± 0.004°
• γ: 90°
• Cell volume: 3348.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No