Information card for entry 7160604

Structure parameters

• Formula: C21 H30 N2 O2
• Calculated formula: C21 H30 N2 O2
• Title of publication: Suppression of rapid deactivation of catalytic tetrapeptides in the asymmetric Michael addition of aldehydes to nitroolefins by supporting them on polymers.
• Authors of publication: Yuan, Meng; Liu, Yang-Xin; Ding, Tie-Ying; Zhang, Ze-Xuan; Lian, Tian-Rui; Zhao, Peng-Fei; Du, Zhi-Hong; Da, Chao-Shan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 28
• Pages of publication: 6819 - 6831
• a: 7.8751 ± 0.0002 Å
• b: 9.2837 ± 0.0002 Å
• c: 14.3774 ± 0.0004 Å
• α: 73.689 ± 0.002°
• β: 78.406 ± 0.003°
• γ: 84.583 ± 0.002°
• Cell volume: 987.44 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0733
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No