Information card for entry 4133510

Structure parameters

• Formula: C101 H81 F24 N8 P4
• Calculated formula: C101 H81 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: 10.6321 ± 0.0006 Å
• b: 21.0128 ± 0.0014 Å
• c: 22.5307 ± 0.0015 Å
• α: 98.837 ± 0.004°
• β: 103.69 ± 0.004°
• γ: 102.785 ± 0.004°
• Cell volume: 4655.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.97 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: 0.1353
• Residual factor for significantly intense reflections: 0.1212
• Weighted residual factors for significantly intense reflections: 0.3998
• Weighted residual factors for all reflections included in the refinement: 0.4153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.838
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No