Information card for entry 2242363

Structure parameters

• Chemical name: Trimethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)
• Formula: C7 H17 Al O
• Calculated formula: C7 H17 Al O
• SMILES: [O]1(CCCC1)[Al](C)(C)C
• Title of publication: Crystal structure and quantum-chemical calculations of a trimethylaluminium‒THF adduct
• Authors of publication: Brieger, Lukas; Hermann, Andreas; Unkelbach, Christian; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 267 - 270
• a: 7.7034 ± 0.0006 Å
• b: 9.1228 ± 0.0007 Å
• c: 13.6833 ± 0.0011 Å
• α: 90°
• β: 98.845 ± 0.008°
• γ: 90°
• Cell volume: 950.18 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes