Information card for entry 1569173

Structure parameters

• Formula: C68 H99 Al K N5 O Si2
• Calculated formula: C68 H99 Al K N5 O Si2
• SMILES: [K]12[N](=[C]2=[C]2C(=[N]1C13CC4CC(C1)CC(C3)C4)[Al]1(N([Si](O[Si](N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C)c1c(cccc1C(C)C)C(C)C)N2C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3.c1(ccccc1)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: 36.4496 ± 0.0007 Å
• b: 12.44536 ± 0.00009 Å
• c: 20.2703 ± 0.0004 Å
• α: 90°
• β: 136.513 ± 0.003°
• γ: 90°
• Cell volume: 6328 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No