Information card for entry 1576277

Structure parameters

• Chemical name: 2Fcat-ter
• Formula: C24 H14 F2 O2
• Calculated formula: C24 H14 F2 O2
• 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: 9.1541 ± 0.0017 Å
• b: 20.08 ± 0.004 Å
• c: 9.5315 ± 0.0017 Å
• α: 90°
• β: 108.338 ± 0.012°
• γ: 90°
• Cell volume: 1663.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No