Information card for entry 7062947

Structure parameters

• Formula: C29 H31 N5 O3
• Calculated formula: C29 H31 N5 O3
• Title of publication: Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters
• Authors of publication: Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 1688 - 1695
• a: 9.3538 ± 0.0001 Å
• b: 9.3538 ± 0.0001 Å
• c: 24.4673 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1853.93 ± 0.04 ų
• Cell temperature: 162 ± 18 K
• Ambient diffraction temperature: 162 ± 18 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No