Information card for entry 7123514

Structure parameters

• Formula: C27 H49 Al
• Calculated formula: C27 H49 Al
• Title of publication: Pentadienyl migration and abstraction in yttrium aluminabenzene complexes including a single-component catalyst for isoprene polymerization
• Authors of publication: Barisic, Damir; Lebon, Jakob; Maichle-moessmer, Caecilia; Anwander, Reiner
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.3276 ± 0.0009 Å
• b: 11.8951 ± 0.0008 Å
• c: 19.0841 ± 0.0014 Å
• α: 90°
• β: 107.151 ± 0.002°
• γ: 90°
• Cell volume: 2674 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No