Information card for entry 7041438

Structure parameters

• Formula: C32 H39 Al Cl2 N2
• Calculated formula: C32 H39 Al Cl2 N2
• SMILES: [Al]1(c2c(cccc2C=[N]1c1c(C(C)C)cccc1C(C)C)/C=N/c1c(C(C)C)cccc1C(C)C)(Cl)Cl
• Title of publication: Pursuing the active species in an aluminium-based Lewis acid system for catalytic Diels-Alder cycloadditions.
• Authors of publication: Liu, Zhizhou; Ganguly, Rakesh; Vidović, Dragoslav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 753 - 759
• a: 9.5076 ± 0.0011 Å
• b: 25.913 ± 0.003 Å
• c: 12.6579 ± 0.0012 Å
• α: 90°
• β: 98.541 ± 0.004°
• γ: 90°
• Cell volume: 3083.9 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No