Information card for entry 7024170

Structure parameters

• Formula: C19 H30 Al B N2 O2
• Calculated formula: C19 H30 Al B N2 O2
• SMILES: [Al]1(C)(C)[N]2C(C)(C)COC=2[B](c2ccccc2)(C)C2=[N]1C(CO2)(C)C
• Title of publication: Bis(oxazolinyl)phenylborane: a Lewis acid-containing ligand for methide abstraction-based coordination to aluminum(III).
• Authors of publication: Dunne, James F.; Manna, Kuntal; Wiench, Jerzy W.; Ellern, Arkady; Pruski, Marek; Sadow, Aaron D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 641 - 653
• a: 6.942 ± 0.007 Å
• b: 22.74 ± 0.02 Å
• c: 13.445 ± 0.013 Å
• α: 90°
• β: 98.61 ± 0.02°
• γ: 90°
• Cell volume: 2099 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1355
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No