Information card for entry 1576283

Structure parameters

• Chemical name: 4F2cat-10CPP
• Formula: C72 H40 F4 O4
• Calculated formula: C72 H40 F4 O4
• Title of publication: Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.
• Authors of publication: Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.
• Journal of publication: Chemical science
• Year of publication: 2025
• a: 24.996 ± 0.003 Å
• b: 6.147 ± 0.0007 Å
• c: 22.464 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3451.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1442
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2573
• Weighted residual factors for all reflections included in the refinement: 0.2984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No