Information card for entry 4111818

Structure parameters

• Formula: C58 H82 Al2 N4 O2
• Calculated formula: C58 H82 Al2 N4 O2
• Title of publication: The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide
• Authors of publication: Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 10170 - 10171
• a: 13.652 ± 0.003 Å
• b: 13.717 ± 0.003 Å
• c: 14.166 ± 0.003 Å
• α: 90°
• β: 106.89 ± 0.03°
• γ: 90°
• Cell volume: 2538.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No