Information card for entry 1570512

Structure parameters

• Common name: M1_CB[8]
• Chemical name: M1_CB[8]
• Formula: C160 H150 I4 N68 O32
• Calculated formula: C160 H150 I3.999 N68 O32
• 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: 18.6227 ± 0.0004 Å
• b: 18.6227 ± 0.0004 Å
• c: 90.614 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31425.4 ± 1.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 112
• Hermann-Mauguin space group symbol: P -4 2 c
• Hall space group symbol: P -4 2c
• Residual factor for all reflections: 0.1406
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2464
• Weighted residual factors for all reflections included in the refinement: 0.2812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No