Information card for entry 7017098

Structure parameters

• Formula: C24 H33 Al N2 O2
• Calculated formula: C24 H33 Al N2 O2
• SMILES: [Al]123(Oc4c(cc(cc4C[N]42CC[N]3(CC4)Cc2c(O1)c(cc(c2)C)C)C)C)CC
• Title of publication: Bimetallic aluminum alkyl complexes as highly active initiators for the polymerization of ε-caprolactone.
• Authors of publication: Li, Wenyi; Wu, Wenting; Wang, Yaorong; Yao, Yingming; Zhang, Yong; Shen, Qi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11378 - 11381
• a: 10.349 ± 0.003 Å
• b: 8.789 ± 0.002 Å
• c: 12.741 ± 0.004 Å
• α: 90°
• β: 101.768 ± 0.006°
• γ: 90°
• Cell volume: 1134.5 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No