Information card for entry 4084516

Structure parameters

• Formula: C58 H75 Al
• Calculated formula: C58 H75 Al
• SMILES: c1(c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[Al](/C=C/c1ccccc1)/C=C/c1ccccc1
• Title of publication: Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions
• Authors of publication: Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6232
• a: 18.5202 ± 0.001 Å
• b: 21.1053 ± 0.0012 Å
• c: 14.7508 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5765.7 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No