Information card for entry 1572139

Structure parameters

• Formula: C19 H19 N O2
• Calculated formula: C19 H19 N O2
• Title of publication: Asymmetric bifunctionalization of allenes with aryl iodides and amino acids enabled by chiral aldehyde/palladium combined catalysis.
• Authors of publication: Zhang, Hao; Wen, Wei; Wang, Yu-Yang; Lu, Ze-Xi; Liu, Jin-Long; Wu, Zhu-Lian; Cai, Tian; Guo, Qi-Xiang
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 32
• Pages of publication: 12983 - 12988
• a: 5.9905 ± 0.0004 Å
• b: 8.0684 ± 0.0005 Å
• c: 16.5496 ± 0.0009 Å
• α: 96.029 ± 0.005°
• β: 98.627 ± 0.005°
• γ: 92.934 ± 0.005°
• Cell volume: 784.65 ± 0.08 ų
• Cell temperature: 453 ± 2 K
• Ambient diffraction temperature: 453 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.2314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No