Information card for entry 7003954

Structure parameters

• Formula: C23 H34 Al N O
• Calculated formula: C23 H34 Al N O
• SMILES: [Al]1(Oc2c(cccc2C=[N]1C12CC3CC(C1)CC(C2)C3)C(C)(C)C)(C)C
• Title of publication: Synthesis of Al complexes containing phenoxy-imine ligands and their use as the catalyst precursors for efficient living ring-opening polymerisation of ε-caprolactone
• Authors of publication: Liu, Jingyu; Iwasa, Naruhito; Nomura, Kotohiro
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 30
• Pages of publication: 3978 - 3988
• a: 10.1069 ± 0.0003 Å
• b: 19.6741 ± 0.0006 Å
• c: 11.0516 ± 0.0004 Å
• α: 90°
• β: 103.962 ± 0.001°
• γ: 90°
• Cell volume: 2132.62 ± 0.12 ų
• Cell temperature: 243.1 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 significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No