Information card for entry 4067911

Structure parameters

• Formula: C15 H18 Al F6 N O
• Calculated formula: C15 H18 Al F6 N O
• SMILES: [Al]1(C)(C)[N](Cc2ccccc2)=C(C)CC(C(F)(F)F)(C(F)(F)F)O1
• Title of publication: Aluminum Complexes of Bidentate Fluorinated Alkoxy-Imino Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters
• Authors of publication: Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1458
• a: 12.6196 ± 0.0016 Å
• b: 7.2451 ± 0.0011 Å
• c: 18.583 ± 0.003 Å
• α: 90°
• β: 93.935 ± 0.008°
• γ: 90°
• Cell volume: 1695 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No