Information card for entry 7121089

Structure parameters

• Chemical name: CB7_B12H11OH
• Formula: C42 H86 B24 N28 O24
• Calculated formula: C42 H66 B24 N28 O24.0022
• Title of publication: The chaotropic effect as an orthogonal assembly motif for multi-responsive dodecaborate-cucurbituril supramolecular networks.
• Authors of publication: Wang, Wenjing; Wang, Xiaoqiang; Cao, Jin; Liu, Jun; Qi, Bin; Zhou, Xiaohai; Zhang, Shuai; Gabel, Detlef; Nau, Werner M.; Assaf, Khaleel I.; Zhang, Haibo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 2098 - 2101
• a: 23.0662 ± 0.0016 Å
• b: 28.863 ± 0.003 Å
• c: 14.2661 ± 0.001 Å
• α: 90°
• β: 96.368 ± 0.007°
• γ: 90°
• Cell volume: 9439.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.3133
• Residual factor for significantly intense reflections: 0.1904
• Weighted residual factors for significantly intense reflections: 0.3572
• Weighted residual factors for all reflections included in the refinement: 0.4271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No