Information card for entry 4111819

Structure parameters

• Formula: C54.14 H67.65 Al N3
• Calculated formula: C54.142 H67.648 Al N3
• 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: 21.56 ± 0.004 Å
• b: 10.457 ± 0.002 Å
• c: 40.816 ± 0.008 Å
• α: 90°
• β: 97.26 ± 0.03°
• γ: 90°
• Cell volume: 9128 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No