Information card for entry 4113999

Structure parameters

• Formula: C39 H67 Al O5
• Calculated formula: C39 H67 Al O5
• SMILES: [Al](Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)([OH2])C.O1CCCC1.O1CCCC1
• Title of publication: Bulky Aluminum Alkyl Scavengers in Olefin Polymerization with Group 4 Catalysts
• Authors of publication: Russell A. Stapleton; Brandon R. Galan; Scott Collins; Richard S. Simons; Jered C. Garrison; Wiley J. Youngs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9246 - 9247
• a: 15.2211 ± 0.0013 Å
• b: 16.7155 ± 0.0014 Å
• c: 15.1522 ± 0.0013 Å
• α: 90°
• β: 98.436 ± 0.002°
• γ: 90°
• Cell volume: 3813.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No