Information card for entry 7132541

Structure parameters

• Formula: C85 H146 Al2 K2 N8 O3 Si4
• Calculated formula: C85 H146 Al2 K2 N8 O3 Si4
• Title of publication: Aluminyl derived ethene functionalization with heteroallenes, leading to an intramolecular ligand rearrangement.
• Authors of publication: O'Reilly, Andrea; Gardiner, Michael G.; McMullin, Claire L.; Fulton, J. Robin; Coles, Martyn P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 7
• Pages of publication: 881 - 884
• a: 21.7767 ± 0.0002 Å
• b: 16.40993 ± 0.00013 Å
• c: 25.5079 ± 0.0002 Å
• α: 90°
• β: 98.7193 ± 0.0009°
• γ: 90°
• Cell volume: 9010.01 ± 0.13 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No