Information card for entry 1569169

Structure parameters

• Formula: C47 H83 Al K N5 O7 Si2
• Calculated formula: C47 H83 Al K N5 O7 Si2
• 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: 12.313 ± 0.0003 Å
• b: 12.5109 ± 0.0003 Å
• c: 19.2634 ± 0.0005 Å
• α: 104.783 ± 0.002°
• β: 105.037 ± 0.002°
• γ: 99.317 ± 0.002°
• Cell volume: 2687.05 ± 0.13 ų
• Cell temperature: 120.1 ± 0.2 K
• Ambient diffraction temperature: 120.1 ± 0.2 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: 0.0842
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No