Information card for entry 7135478

Structure parameters

• Formula: C90 H90 N6 O4
• Calculated formula: C90 H90 N6 O4
• 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: 9.708 ± 0.002 Å
• b: 14.094 ± 0.003 Å
• c: 14.845 ± 0.003 Å
• α: 73.353 ± 0.012°
• β: 84.16 ± 0.012°
• γ: 70.601 ± 0.012°
• Cell volume: 1835.5 ± 0.7 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3095
• Residual factor for significantly intense reflections: 0.128
• Weighted residual factors for significantly intense reflections: 0.3005
• Weighted residual factors for all reflections included in the refinement: 0.3878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No