Information card for entry 1570511

Structure parameters

• Common name: M1_CB[7]
• Chemical name: M1_CB[7]
• Formula: C148 H142 I4 N60 O28
• Calculated formula: C148 H142 I4 N60 O28
• Title of publication: Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.
• Authors of publication: Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 458 - 465
• a: 13.107 ± 0.0007 Å
• b: 17.0258 ± 0.001 Å
• c: 25.9476 ± 0.0013 Å
• α: 75.072 ± 0.005°
• β: 85.004 ± 0.004°
• γ: 77.546 ± 0.005°
• Cell volume: 5460.3 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2256
• Residual factor for significantly intense reflections: 0.1841
• Weighted residual factors for significantly intense reflections: 0.3377
• Weighted residual factors for all reflections included in the refinement: 0.3531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No