Information card for entry 4133513

Structure parameters

• Formula: C94 H80 F24 N8 P4
• Calculated formula: C94 H80 F24 N8 P4
• Title of publication: A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.
• Authors of publication: Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 3
• Pages of publication: 1280 - 1289
• a: 10.3102 ± 0.0007 Å
• b: 11.1967 ± 0.0008 Å
• c: 21.5627 ± 0.0015 Å
• α: 79.7093 ± 0.0016°
• β: 86.3983 ± 0.0016°
• γ: 64.3662 ± 0.0016°
• Cell volume: 2207.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.1131
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2536
• Weighted residual factors for all reflections included in the refinement: 0.279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No