Information card for entry 4068982

Structure parameters

• Formula: C49 H53 Al3 F5 N O5
• Calculated formula: C49 H53 Al3 F5 N O5
• SMILES: [Al]123([N](=Cc4c(O1)c(ccc4)C(C)(C)C)c1c(F)c(F)c(F)c(F)c1F)([O]([Al]([O]2Cc1ccccc1)(C)C)Cc1ccccc1)[O]([Al]([O]3Cc1ccccc1)(C)C)Cc1ccccc1
• Title of publication: Notable Effect of Fluoro Substituents in the Imino Group in Ring-Opening Polymerization of ε-Caprolactone by Al Complexes Containing Phenoxyimine Ligands
• Authors of publication: Iwasa, Naruhito; Katao, Shohei; Liu, Jingyu; Fujiki, Michiya; Furukawa, Yoshiro; Nomura, Kotohiro
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2179
• a: 16.4445 ± 0.0004 Å
• b: 13.2799 ± 0.0005 Å
• c: 22.1077 ± 0.0006 Å
• α: 90°
• β: 100.824 ± 0.0007°
• γ: 90°
• Cell volume: 4742 ± 0.2 ų
• Cell temperature: 243.1 K
• Number of distinct elements: 6
• 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: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No