Information card for entry 1576286

Structure parameters

• Chemical name: 6F3cat-12CPP
• Formula: C90 H48 F6 O6
• Calculated formula: C90 H48 F6 O6
• 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: 6.0736 ± 0.0004 Å
• b: 37.926 ± 0.003 Å
• c: 46.212 ± 0.01 Å
• α: 90°
• β: 90.106 ± 0.011°
• γ: 90°
• Cell volume: 10645 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.2052
• Residual factor for significantly intense reflections: 0.1391
• Weighted residual factors for significantly intense reflections: 0.3623
• Weighted residual factors for all reflections included in the refinement: 0.4091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No