Information card for entry 7135479

Structure parameters

• Formula: C98 H88 Cl6 N6
• Calculated formula: C98 H88 Cl6 N6
• 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: 18.272 ± 0.004 Å
• b: 25.467 ± 0.007 Å
• c: 9.441 ± 0.003 Å
• α: 90°
• β: 103.359 ± 0.015°
• γ: 90°
• Cell volume: 4274 ± 2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.2386
• Residual factor for significantly intense reflections: 0.1428
• Weighted residual factors for significantly intense reflections: 0.3603
• Weighted residual factors for all reflections included in the refinement: 0.4055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No