Information card for entry 7002926

Structure parameters

• Formula: C46 H70 Al2
• Calculated formula: C46 H70 Al2
• SMILES: C1(/[Al](C(=C\C(C)(C)C)\c2ccc(C(/[Al](/C(=C/C(C)(C)C)c3ccc1cc3)CC(C)(C)C)=C\C(C)(C)C)cc2)CC(C)(C)C)=C\C(C)(C)C
• Title of publication: The influence of halogen substituents on the course of hydrogallation and hydroalumination reactions
• Authors of publication: Uhl, Werner; Claesener, Michael; Hepp, Alexander; Jasper, Beate; Vinogradov, Andrej; van Wüllen, Leo; Köster, Thomas K.-J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10550 - 10562
• a: 6.0951 ± 0.0003 Å
• b: 13.0684 ± 0.0005 Å
• c: 14.8985 ± 0.0006 Å
• α: 108.541 ± 0.003°
• β: 94.003 ± 0.003°
• γ: 97.057 ± 0.003°
• Cell volume: 1109.09 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No