Information card for entry 1574617

Structure parameters

• Formula: C47 H76 Al K N2 O Si2
• Calculated formula: C47 H76 Al K N2 O Si2
• 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: 14.4106 ± 0.0001 Å
• b: 15.4214 ± 0.0001 Å
• c: 24.1204 ± 0.0002 Å
• α: 101.438 ± 0.001°
• β: 105.322 ± 0.001°
• γ: 103.955 ± 0.001°
• Cell volume: 4816.59 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No