Information card for entry 7135480

Structure parameters

• Formula: C91.3 H90.6 O2.33
• Calculated formula: C82 H72
• Title of publication: Selective strain-promoted reactivity of a fluorene-derived [6]cycloparaphenyleneacetylene carbon nanohoop.
• Authors of publication: Herman, Robert J.; Jalife, Said; LeBlanc, Abigail G.; Khan, Muhammad Usama Gul; Stewart, Marvin L.; Njoroge, Sheila W.; Tanha, Sajila Riman; Fronczek, Frank R.; Wu, Judy; Lee, Semin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 1
• Pages of publication: 243 - 246
• a: 10.825 ± 0.004 Å
• b: 18.566 ± 0.006 Å
• c: 19.147 ± 0.006 Å
• α: 107.809 ± 0.012°
• β: 100.919 ± 0.011°
• γ: 93.994 ± 0.011°
• Cell volume: 3564 ± 2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No