Information card for entry 7003952

Structure parameters

• Formula: C14 H22 Al N O
• Calculated formula: C14 H22 Al N O
• SMILES: [Al]1(Oc2c(cccc2C=[N]1C(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: 9.7023 ± 0.0005 Å
• b: 9.7378 ± 0.0005 Å
• c: 15.6108 ± 0.0008 Å
• α: 90°
• β: 92.9412 ± 0.0018°
• γ: 90°
• Cell volume: 1472.95 ± 0.13 ų
• Cell temperature: 243.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No