Information card for entry 2215839

Structure parameters

• Common name: Al-TADDOLate
• Chemical name: (2,2-Dimethyl-α,α,α',α'-tetraphenyl-1,3-dioxolane-4,5-dimethanolato- κ^2^<i>O</i>^4^,<i>O</i>^5^)ethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)
• Formula: C37 H41 Al O5
• Calculated formula: C37 H41 Al O5
• SMILES: [Al]1(OC([C@@H]2OC(O[C@H]2C(O1)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1)([O]1CCCC1)CC
• Title of publication: (2,2-Dimethyl-α,α,α',α'-tetraphenyl-1,3-dioxolane-4,5-dimethanolato-κ^2^<i>O</i>^4^,<i>O</i>^5^)ethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)
• Authors of publication: Chen, Chien-An; Wu, Kuo-Hui; Gau, Han-Mou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2665 - m2666
• a: 9.6123 ± 0.0008 Å
• b: 15.7991 ± 0.0013 Å
• c: 21.4207 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3253.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes