Information card for entry 4133957

Structure parameters

• Formula: C48 H80 K2 O40
• Calculated formula: C48 H80 K2 O40
• SMILES: [C@@H]12[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@@H](O)[C@H](O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@@H](O)[C@H](O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O[C@@H]4[C@@H]([C@@H](O)[C@H](O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O[C@@H]5[C@@H]([C@@H](O)[C@H](O2)[C@H](O5)CO)O)O)O)[C@H](O4)CO)O)O)O)[C@H](O3)CO)O)O)O)[C@H](O1)CO)O)O)O.[K+].[K+]
• Title of publication: Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.
• Authors of publication: Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 4
• Pages of publication: 2042 - 2050
• a: 31.0134 ± 0.0014 Å
• b: 31.0134 ± 0.0014 Å
• c: 31.0134 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29830 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.07 K
• Number of distinct elements: 4
• Space group number: 211
• Hermann-Mauguin space group symbol: I 4 3 2
• Hall space group symbol: I 4 2 3
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.3079
• Weighted residual factors for all reflections included in the refinement: 0.341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.347
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No