Information card for entry 4072187

Structure parameters

• Formula: C21 H27 Al F12 N2 O3
• Calculated formula: C21 H27 Al F12 N2 O3
• SMILES: C1(C(F)(F)F)(O[Al]23(OC(C(F)(F)F)(CC(=[N]2[C@@H]2CCCC[C@H]2[N]3=C(C1)C)C)C(F)(F)F)OC(C)C)C(F)(F)F
• Title of publication: Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters
• Authors of publication: Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5815
• a: 10.5749 ± 0.0013 Å
• b: 15.88 ± 0.002 Å
• c: 16.688 ± 0.002 Å
• α: 70.161 ± 0.007°
• β: 79.861 ± 0.007°
• γ: 85.599 ± 0.007°
• Cell volume: 2594.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1877
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No