Information card for entry 4110980

Structure parameters

• Formula: C31 H38 Al N O4
• Calculated formula: C31 H38 Al N O4
• SMILES: [Al]123([N](Cc4c(c(C)cc(C)c4)O1)(Cc1c(c(C)cc(C)c1)O2)Cc1c(c(C)cc(C)c1)O3)[O]1CCCC1
• Title of publication: Facile Synthesis of Monomeric Alumatranes
• Authors of publication: Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 13727 - 13735
• a: 9.3865 ± 0.0016 Å
• b: 17.609 ± 0.003 Å
• c: 16.824 ± 0.003 Å
• α: 90°
• β: 97.377 ± 0.003°
• γ: 90°
• Cell volume: 2757.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No