Information card for entry 4133515

Structure parameters

• Formula: C72 H56 F24 N4 O2 P4
• Calculated formula: C72 H56 F24 N4 O2 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: 19.8606 ± 0.0011 Å
• b: 12.2479 ± 0.0006 Å
• c: 14.4094 ± 0.0009 Å
• α: 90°
• β: 105.31 ± 0.004°
• γ: 90°
• Cell volume: 3380.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No