Information card for entry 4112963

Structure parameters

• Formula: C26 H54 Al2 O2
• Calculated formula: C26 H54 Al2 O2
• SMILES: C1(C(C)(C)C)=[O][Al](C(C(C)(C)C)=[O][Al]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Remarkable Room-Temperature Insertion of Carbon Monoxide into an Aluminum-Carbon Bond of Tri-tert-butylaluminum
• Authors of publication: Mark R. Mason; Bingxu Song; Kristin Kirschbaum
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 11812 - 11813
• a: 8.5511 ± 0.0009 Å
• b: 11.618 ± 0.0013 Å
• c: 14.657 ± 0.002 Å
• α: 90°
• β: 90.712 ± 0.006°
• γ: 90°
• Cell volume: 1456 ± 0.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.322
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No