Information card for entry 4110984

Structure parameters

• Formula: C61 H72 Al2 N2 O8
• Calculated formula: C61 H72 Al2 N2 O8
• 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.Cc1ccccc1.O
• 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: 13.35 ± 0.005 Å
• b: 14.565 ± 0.006 Å
• c: 15.156 ± 0.006 Å
• α: 73.818 ± 0.006°
• β: 68.657 ± 0.006°
• γ: 79.926 ± 0.006°
• Cell volume: 2627.2 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No