Information card for entry 7003632

Structure parameters

• Formula: C44 H55 Al N2 O3
• Calculated formula: C44 H55 Al N2 O3
• SMILES: [Al]123(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C=[N]1CC[N]2=Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)Oc1ccc(cc1)c1ccccc1
• Title of publication: Aluminium‒salen luminophores as new hole-blocking materials for phosphorescent OLEDs
• Authors of publication: Hwang, Kyu Young; Lee, Min Hyung; Jang, Hyosook; Sung, Yeunjoo; Lee, Jong Soon; Kim, Se Hun; Do, Youngkyu
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1818 - 1820
• a: 20.263 ± 0.008 Å
• b: 11.792 ± 0.004 Å
• c: 18.06 ± 0.009 Å
• α: 90°
• β: 114.585 ± 0.012°
• γ: 90°
• Cell volume: 3924 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1179
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No