Information card for entry 7239716

Structure parameters

• Formula: C21 H22 N2 O2
• Calculated formula: C21 H22 N2 O2
• Title of publication: A palladium-catalyzed oxidative aminocarbonylation reaction of alkynone O-methyloximes with amines and CO in PEG-400
• Authors of publication: Li, Jianxiao; Yu, Junsheng; Xiong, Wenfang; Tang, Hao; Hu, Miao; Wu, Wanqing; Jiang, Huanfeng
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 2
• Pages of publication: 465 - 470
• a: 20.3378 ± 0.001 Å
• b: 20.3378 ± 0.001 Å
• c: 18.3367 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7584.5 ± 0.7 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No