Information card for entry 7708045

Structure parameters

• Formula: C22 H34 Al Li N2 O2
• Calculated formula: C22 H34 Al Li N2 O2
• SMILES: [Al]1(C)(C)c2[n]([Li]([O]3CCCC3)([O]3CCCC3)[n]3c1cccc3C)c(ccc2)C
• Title of publication: Synthesis and Coordination Behaviour of Aluminate-based Quinolyl Ligands
• Authors of publication: Waters, Jessica E.; Hanf, Schirin; Rincón-Nocito, Marina; Bond, Andrew David; García-Rodríguez, Raúl; Wright, Dominic S.; Colebatch, Annie Louise
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.9054 ± 0.0004 Å
• b: 15.1908 ± 0.0006 Å
• c: 14.5647 ± 0.0005 Å
• α: 90°
• β: 99.935 ± 0.002°
• γ: 90°
• Cell volume: 2376.63 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No