Information card for entry 7135108

Structure parameters

• Formula: C23 H25 Cl N2 O2
• Calculated formula: C23 H25 Cl N2 O2
• Title of publication: Palladium-Catalysed Asymmetric Allylic Alkylation of Hydantoins using Bench-Stable Chiral Palladium Precatalysts
• Authors of publication: Liu, Shiqi; Ma, Yao-Rui; Leitch, David; Arseniyadis, Stellios; Jean, Alexandre; Clark, Paul; Keenan, Thomas; Huang, Jingjun; Hasija, Avantika; Huang, Pei-Qiang
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 10.5633 ± 0.0002 Å
• b: 10.5879 ± 0.0002 Å
• c: 18.4454 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2062.99 ± 0.07 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: 0.0279
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No