Information card for entry 4079963

Structure parameters

• Formula: C25 H31 Al N2 O
• Calculated formula: C25 H31 Al N2 O
• SMILES: [Al]12([O](c3c(N2C2CCCCC2)cccc3)c2c(N1C1CCCCC1)cccc2)C
• Title of publication: Synthesis and Structural Characterization of Various N,O,N-Chelated Aluminum and Gallium Complexes for the Efficient ROP of Cyclic Esters and Carbonates: How Do Aluminum and Gallium Derivatives Compare ?
• Authors of publication: Hild, Frédéric; Neehaul, Nirvana; Bier, Frédéric; Wirsum, Morgane; Gourlaouen, Christophe; Dagorne, Samuel
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 587
• a: 19.555 ± 0.0002 Å
• b: 8.749 ± 0.0002 Å
• c: 25.96 ± 0.0007 Å
• α: 90 ± 0.0012°
• β: 95.927 ± 0.0013°
• γ: 90 ± 0.001°
• Cell volume: 4417.67 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.2046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No