Information card for entry 4517779

Structure parameters

• Formula: C29 H29 N2 O3
• Calculated formula: C29 H28 N2 O3
• Title of publication: Palladium-Catalyzed anti-Michael Reductive Heck Reaction of α,β-Unsaturated Esters
• Authors of publication: Guo, Tao; Ding, Yalan; Zhou, Lili; Xu, Haiyan; Loh, Teck-Peng; Wu, Xiaojin
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 7262 - 7268
• a: 10.548 ± 0.003 Å
• b: 11.96 ± 0.003 Å
• c: 13.948 ± 0.003 Å
• α: 94.54 ± 0.005°
• β: 111.21 ± 0.004°
• γ: 115.903 ± 0.004°
• Cell volume: 1415.3 ± 0.6 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: 0.2061
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No