Information card for entry 7132539

Structure parameters

• Formula: C78 H140 Al2 K2 N4 O10 Si4
• Calculated formula: C78 H140 Al2 K2 N4 O10 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: 15.7613 ± 0.0002 Å
• b: 13.63024 ± 0.00018 Å
• c: 21.2238 ± 0.0018 Å
• α: 90°
• β: 89.397 ± 0.003°
• γ: 90°
• Cell volume: 4559.3 ± 0.4 ų
• Cell temperature: 119.99 ± 0.1 K
• Ambient diffraction temperature: 119.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No