Information card for entry 7003953

Structure parameters

• Formula: C19 H30 Al N O
• Calculated formula: C19 H30 Al N O
• SMILES: [Al]1(Oc2c(C=[N]1C1CCCCC1)cccc2C(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: 13.448 ± 0.0003 Å
• b: 12.7111 ± 0.0004 Å
• c: 22.454 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3838.26 ± 0.17 ų
• Cell temperature: 243.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No