Information card for entry 7014736

Structure parameters

• Formula: C68 H67 Al N6 O2
• Calculated formula: C68 H67 Al N6 O2
• SMILES: [Al]12(Oc3c(n4[n]1c1ccccc1n4)cc(cc3C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)(Oc1c(n3[n]2c2ccccc2n3)cc(cc1C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C.Cc1ccccc1
• Title of publication: Synthesis, structural characterization and reactivity of aluminium complexes supported by benzotriazole phenoxide ligands: air-stable alumoxane as an efficient catalyst for ring-opening polymerization of l-lactide.
• Authors of publication: Li, Chen-Yu; Tsai, Chen-Yen; Lin, Chia-Her; Ko, Bao-Tsan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 1880 - 1887
• a: 13.4849 ± 0.0005 Å
• b: 13.9078 ± 0.0005 Å
• c: 17.8632 ± 0.0006 Å
• α: 78.436 ± 0.002°
• β: 70.643 ± 0.002°
• γ: 66.815 ± 0.002°
• Cell volume: 2896.04 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No