Information card for entry 4134556

Structure parameters

• Formula: C62 H16 F32 N6.67 O5.33
• Calculated formula: C62 H16 F32 N6.66667 O5.33333
• Title of publication: Split and Use: Structural Isomers for Diagnosis and Therapy.
• Authors of publication: Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 8.0988 ± 0.0004 Å
• b: 27.1807 ± 0.0012 Å
• c: 20.3015 ± 0.0009 Å
• α: 90°
• β: 97.604 ± 0.004°
• γ: 90°
• Cell volume: 4429.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1094
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.3082
• Weighted residual factors for all reflections included in the refinement: 0.3229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No