Information card for entry 4072183

Structure parameters

• Formula: C22 H32 F12 N2 O2
• Calculated formula: C22 H32 F12 N2 O2
• SMILES: C(C(C(F)(F)F)(O)C(C(=N\CC/N=C(/C(C(C(F)(F)F)(C(F)(F)F)O)(C)C)C(C)C)\C(C)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: 7.3782 ± 0.0016 Å
• b: 22.163 ± 0.005 Å
• c: 7.7542 ± 0.0014 Å
• α: 90°
• β: 91.228 ± 0.007°
• γ: 90°
• Cell volume: 1267.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No