Information card for entry 1569830

Structure parameters

• Chemical name: tetrafluoro[12]cycloparaphenylene
• Formula: C72 H44 F4
• Calculated formula: C72 H44 F4
• Title of publication: Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.
• Authors of publication: Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 36
• Pages of publication: 9724 - 9732
• a: 19.7037 ± 0.0019 Å
• b: 8.3789 ± 0.0008 Å
• c: 21.004 ± 0.002 Å
• α: 90°
• β: 108.289 ± 0.003°
• γ: 90°
• Cell volume: 3292.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No