Information card for entry 1569172

Structure parameters

• Formula: C63 H93 Al K N5 O3 Si2
• Calculated formula: C63 H93 Al K N5 O3 Si2
• SMILES: [K]1([O](CC)CC)([O](CC)CC)[N](=C2C3=C([Al]4(N([Si](O[Si](N4c4c(cccc4C(C)C)C(C)C)(C)C)(C)C)c4c(cccc4C(C)C)C(C)C)[N]3=C3C2(C=CC=C3C)C)N1c1c(cccc1C)C)c1c(cccc1C)C
• 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: 11.59172 ± 0.00014 Å
• b: 22.52352 ± 0.00017 Å
• c: 24.5925 ± 0.0002 Å
• α: 90°
• β: 96.0048 ± 0.0009°
• γ: 90°
• Cell volume: 6385.54 ± 0.11 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No