Information card for entry 4133710

Structure parameters

• Formula: C42 H32 B N O3 Si
• Calculated formula: C42 H32 B N O3 Si
• SMILES: [Si]12(c3c(O[B](Oc4c2cccc4c2ccccc2)(Oc2c1cccc2c1ccccc1)[n]1ccccc1)c(c1ccccc1)ccc3)C
• 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: 31.9492 ± 0.0011 Å
• b: 12.4895 ± 0.0004 Å
• c: 16.1636 ± 0.0006 Å
• α: 90°
• β: 98.3239 ± 0.0019°
• γ: 90°
• Cell volume: 6381.8 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No