Information card for entry 7129723

Structure parameters

• Formula: C28 H23 Cl4 N O3
• Calculated formula: C28 H23 Cl4 N O3
• Title of publication: Iridium-catalyzed asymmetric double allylic alkylation of azlactone: efficient access to chiral α-amino acid derivatives
• Authors of publication: Cheng, Xiang; Shen, Chong; Dong, Xiu-Qin; Wang, Chun-Jiang
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.76191 ± 0.00004 Å
• b: 13.60474 ± 0.00005 Å
• c: 16.49635 ± 0.00006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2639.71 ± 0.016 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No