Information card for entry 1574625

Structure parameters

• Formula: C151 H177 Al2 K2 N4 O4
• Calculated formula: C151 H177 Al2 K2 N4 O4
• Title of publication: Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation
• Authors of publication: Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 10750 - 10758
• a: 20.4545 ± 0.0003 Å
• b: 14.2108 ± 0.0002 Å
• c: 45.7301 ± 0.0008 Å
• α: 90°
• β: 96.745 ± 0.002°
• γ: 90°
• Cell volume: 13200.6 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No