Information card for entry 7041437

Structure parameters

• Formula: C96 H134 Al2 F12 N4 O19 S4
• Calculated formula: C96 H134 Al2 F12 N4 O19 S4
• 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: 9.7628 ± 0.0008 Å
• b: 27.367 ± 0.002 Å
• c: 19.2292 ± 0.0014 Å
• α: 90°
• β: 101.133 ± 0.003°
• γ: 90°
• Cell volume: 5040.9 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1514
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No