Information card for entry 4343006

Structure parameters

• Formula: C21 H36 Al N O
• Calculated formula: C21 H36 Al N O
• SMILES: [Al]1(Oc2c(cc(cc2C[N]21CCCCC2)C)C(C)(C)C)(CC)CC
• Title of publication: Syntheses of Mononuclear and Dinuclear Aluminum Complexes Stabilized by Phenolato Ligands and Their Applications in the Polymerization of ε-Caprolactone: A Comparative Study.
• Authors of publication: Chen, Lijuan; Li, Wenyi; Yuan, Dan; Zhang, Yong; Shen, Qi; Yao, Yingming
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4699 - 4708
• a: 9.132 ± 0.0018 Å
• b: 10.919 ± 0.002 Å
• c: 10.999 ± 0.002 Å
• α: 100.64 ± 0.03°
• β: 96.13 ± 0.03°
• γ: 100.12 ± 0.03°
• Cell volume: 1050.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No