Information card for entry 4114126

Structure parameters

• Common name: (Dipp*Al)2C7H8.2C7H8
• Formula: C81 H98 Al2
• Calculated formula: C81 H98 Al2
• Title of publication: The [2 + 4] Diels-Alder Cycloadditon Product of a Probable Dialuminene, Ar'AlAlAr' (Ar' = C6H3- 2,6-Dipp2; Dipp = C6H3-2,6-Pri2), with Toluene
• Authors of publication: Robert J. Wright; Andrew D. Phillips; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10784 - 10785
• a: 13.9134 ± 0.0015 Å
• b: 13.9628 ± 0.0018 Å
• c: 19.057 ± 0.002 Å
• α: 106.645 ± 0.003°
• β: 107.171 ± 0.004°
• γ: 91.862 ± 0.005°
• Cell volume: 3361.2 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No