Information card for entry 7039100

Structure parameters

• Formula: C14 H16 Al N O
• Calculated formula: C14 H16 Al N O
• SMILES: [Al]1(OC(=Cc2[n]1c1c(cc2)cccc1)C)(C)C
• Title of publication: Aluminum chelates supported by β-quinolyl enolate ligands: synthesis and ROP of ε-CL.
• Authors of publication: Wang, Peng; Hao, Xiaomin; Cheng, Jianhua; Chao, Jianbin; Chen, Xia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9088 - 9096
• a: 7.0753 ± 0.0003 Å
• b: 15.6291 ± 0.0006 Å
• c: 11.8798 ± 0.0004 Å
• α: 90°
• β: 90.947 ± 0.001°
• γ: 90°
• Cell volume: 1313.5 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No