Information card for entry 4133511

Structure parameters

• Formula: C62 H54 F24 N6 P4
• Calculated formula: C62 H54 F24 N6 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: 32.128 ± 0.003 Å
• b: 40.07 ± 0.004 Å
• c: 12.3508 ± 0.0012 Å
• α: 90°
• β: 99.299 ± 0.006°
• γ: 90°
• Cell volume: 15691 ± 3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.157
• Residual factor for significantly intense reflections: 0.1348
• Weighted residual factors for significantly intense reflections: 0.4119
• Weighted residual factors for all reflections included in the refinement: 0.4322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.644
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No