Information card for entry 4133707

Structure parameters

• Formula: C24 H17 Al Br3 N O3 Si
• Calculated formula: C24 H17 Al Br3 N O3 Si
• SMILES: Brc1c2O[Al]3(Oc4c([Si](C)(c2ccc1)c1c(O3)c(Br)ccc1)cccc4Br)[n]1ccccc1
• Title of publication: Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.
• Authors of publication: Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 44
• Pages of publication: 17466 - 17471
• a: 9.71975 ± 0.00018 Å
• b: 31.8436 ± 0.0006 Å
• c: 9.22858 ± 0.00017 Å
• α: 90°
• β: 122.525 ± 0.0007°
• γ: 90°
• Cell volume: 2408.36 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No