Information card for entry 4072186

Structure parameters

• Formula: C19 H23 Al F12 N2 O2
• Calculated formula: C19 H23 Al F12 N2 O2
• SMILES: [Al]123(OC(C(F)(F)F)(C(F)(F)F)CC(C)=[N]1[C@H]1CCCC[C@@H]1[N]3=C(CC(O2)(C(F)(F)F)C(F)(F)F)C)C.[Al]123(OC(C(F)(F)F)(C(F)(F)F)CC(C)=[N]1[C@@H]1CCCC[C@H]1[N]3=C(CC(O2)(C(F)(F)F)C(F)(F)F)C)C
• 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: 8.0836 ± 0.0004 Å
• b: 10.2938 ± 0.0006 Å
• c: 15.0534 ± 0.0007 Å
• α: 102.211 ± 0.003°
• β: 105.267 ± 0.002°
• γ: 100.619 ± 0.002°
• Cell volume: 1142.17 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No