Information card for entry 4133512

Structure parameters

• Formula: C76 H58 F24 N4 O2 P4
• Calculated formula: C76 H58 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: 17.802 ± 0.004 Å
• b: 17.802 ± 0.004 Å
• c: 26.606 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8432 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 109
• Hermann-Mauguin space group symbol: I 41 m d
• Hall space group symbol: I 4bw -2
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No