Information card for entry 1569168

Structure parameters

• Formula: C31 H51 Al K N3 O1.5 Si2
• Calculated formula: C29 H47 Al K N3 O 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: 18.16775 ± 0.00017 Å
• b: 13.05007 ± 0.00009 Å
• c: 30.7237 ± 0.0002 Å
• α: 90°
• β: 102.709 ± 0.0008°
• γ: 90°
• Cell volume: 7105.83 ± 0.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No