Information card for entry 4064456

Structure parameters

• Formula: C88 H110 Al2 O2
• Calculated formula: C88 H110 Al2 O2
• SMILES: c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Al]1(CC)[OH][Al](c2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([OH]1)CC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Synthesis and Characterization of Bulky Cationic Arylalkylaluminum Compounds
• Authors of publication: Klis, Tomasz; Powell, Douglas R.; Wojtas, Lukasz; Wehmschulte, Rudolf J.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2563
• a: 13.723 ± 0.004 Å
• b: 19.109 ± 0.006 Å
• c: 15.786 ± 0.005 Å
• α: 90°
• β: 115.33 ± 0.012°
• γ: 90°
• Cell volume: 3742 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1109
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No