Information card for entry 4068977

Structure parameters

• Formula: C21 H23 Al F5 N O
• Calculated formula: C21 H23 Al F5 N O
• SMILES: [Al]1(Oc2c(cccc2C=[N]1c1c(F)c(F)c(F)c(F)c1F)C(C)(C)C)(CC)CC
• 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: 32.263 ± 0.003 Å
• b: 7.9795 ± 0.0005 Å
• c: 20.2578 ± 0.0016 Å
• α: 90°
• β: 124.982 ± 0.002°
• γ: 90°
• Cell volume: 4273 ± 0.6 ų
• Cell temperature: 243.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No