Information card for entry 7224471

Structure parameters

• Formula: C15 H12 N O
• Calculated formula: C15 H13 N O
• SMILES: N1[C@@H](c2ccccc2)CC(=O)c2ccccc12
• Title of publication: Organocatalytic One-pot Asymmetric Synthesis of 2-Aryl-2,3-dihydro-4-quinolones
• Authors of publication: Pan, Gao-Fei; Su, Li; Zhang, Yan-Lei; Guo, Shi-Huan; Wang, Yong-Qiang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.764 ± 0.003 Å
• b: 13.551 ± 0.007 Å
• c: 15.03 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1174 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No