Information card for entry 1569171

Structure parameters

• Formula: C54 H86 Al K N4 O2 Si2
• Calculated formula: C54 H86 Al K N4 O2 Si2
• SMILES: [K]12([O](CC)CC)[N](=[C]1=[C]12[Al]2(N([Si](O[Si](N2c2c(cccc2C(C)C)C(C)C)(C)C)(C)C)c2c(cccc2C(C)C)C(C)C)N1C12CC3CC(C2)CC(C1)C3)C12CC3CC(C1)CC(C2)C3
• Title of publication: Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.
• Authors of publication: Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 6278 - 6288
• a: 22.07209 ± 0.00013 Å
• b: 19.9537 ± 0.00013 Å
• c: 24.4522 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10769.2 ± 0.12 ų
• Cell temperature: 125 ± 7 K
• Ambient diffraction temperature: 125 ± 7 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.095
• 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