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Information card for entry 4133708
Preview
Coordinates | 4133708.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H32 Al N O3 Si |
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Calculated formula | C42 H32 Al N O3 Si |
SMILES | [Si]12(c3c(O[Al](Oc4c1cccc4c1ccccc1)(Oc1c(cccc21)c1ccccc1)[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 | 32.2397 ± 0.0019 Å |
b | 12.9717 ± 0.001 Å |
c | 16.1906 ± 0.001 Å |
α | 90° |
β | 98.752 ± 0.003° |
γ | 90° |
Cell volume | 6692.1 ± 0.8 Å3 |
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 | 0.0611 |
Weighted residual factors for all reflections included in the refinement | 0.0985 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.266 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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