Information card for entry 4001985

Structure parameters

• Formula: C36 H27 Al N4 O3
• Calculated formula: C36 H27 Al N4 O3
• SMILES: [Al]12(Oc3cccc4ccc([n]1c34)C)(Oc1cccc3ccc([n]2c13)C)Oc1c(cccc1c1cnccc1)c1cnccc1
• Title of publication: Rational Design of Chelated Aluminum Complexes toward Highly Efficient and Thermally Stable Electron-Transporting Materials
• Authors of publication: Lin, Na; Qiao, Juan; Duan, Lian; Xue, Jie; Wang, Liduo
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 3693
• a: 14.638 ± 0.002 Å
• b: 19.642 ± 0.003 Å
• c: 20.303 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5837.5 ± 1.5 ų
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.069
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No