Information card for entry 4024716

Structure parameters

• Formula: C35 H38 Al N O5
• Calculated formula: C35 H38 Al N O5
• 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]=Cc1ccccc1OC
• Title of publication: Catalysis of Mukaiyama Aldol Reactions by a Tricyclic Aluminum Alkoxide Lewis Acid
• Authors of publication: Steven M. Raders; John G. Verkade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5417 - 5428
• a: 12.99 ± 0.02 Å
• b: 11.142 ± 0.017 Å
• c: 22.53 ± 0.03 Å
• α: 90°
• β: 97.03 ± 0.02°
• γ: 90°
• Cell volume: 3235 ± 9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0914
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No