Information card for entry 7159983

Structure parameters

• Formula: C80.41 H60 Cl4 N4 O2 Zn
• Calculated formula: C80.406 H60 Cl4 N4 O2 Zn
• Title of publication: Zn(II)-catalyzed asymmetric [3+2] cycloaddition of acyclic enones with azomethine ylides
• Authors of publication: Kumar, Vivek Sundaravel; Olusegun, Jeremiah; Guiry, Patrick J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 14.3914 ± 0.0001 Å
• b: 14.3914 ± 0.0001 Å
• c: 27.1211 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4864.57 ± 0.05 ų
• Cell temperature: 108 ± 5 K
• Ambient diffraction temperature: 108 ± 5 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No