Information card for entry 7710644

Structure parameters

• Formula: C27 H45 Al2 N5 O
• Calculated formula: C27 H45 Al2 N5 O
• SMILES: [Al]1([n]2n(c(cc2C)C)C(n2nc(cc2C)C)C(=[N]1C12CC3CC(C2)CC(C1)C3)O[Al](C)(C)C)(C)C
• Title of publication: Closing the loop in the synthesis of heteroscorpionate-based aluminium helicates. Catalytic studies for cyclic carbonate synthesis.
• Authors of publication: Lara, Agustin; Castro-Osma, José Antonio; North, Michael; Gaona, Miguel Ángel; de la Cruz-Martínez, Felipe; Rodríguez, Ana María; Caballero Espinosa, María del Prado; Francés-Poveda, Enrique; Rodríguez Diéguez, Antonio
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.7654 ± 0.0013 Å
• b: 19.445 ± 0.002 Å
• c: 13.2565 ± 0.0015 Å
• α: 90°
• β: 97.233 ± 0.001°
• γ: 90°
• Cell volume: 3008.7 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No