Information card for entry 4133711

Structure parameters

• Formula: C24 H17 B Br3 N O3 Si
• Calculated formula: C24 H17 B Br3 N O3 Si
• SMILES: Brc1c2O[B]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: 9.0037 ± 0.0003 Å
• b: 17.1885 ± 0.0005 Å
• c: 15.0515 ± 0.0005 Å
• α: 90°
• β: 94.761 ± 0.003°
• γ: 90°
• Cell volume: 2321.33 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No