Information card for entry 7129058

Structure parameters

• Formula: C72 H48
• Calculated formula: C72 H48
• Title of publication: Scalable synthesis of [8]cycloparaphenyleneacetylene carbon nanohoop using alkyne metathesis.
• Authors of publication: Zhou, Xin; Kwon, Hyejin; Thompson, Richard R.; Herman, Robert J.; Fronczek, Frank R.; Bruns, Carson J.; Lee, Semin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 83
• Pages of publication: 10887 - 10890
• a: 14.9047 ± 0.0003 Å
• b: 37.0591 ± 0.001 Å
• c: 12.6785 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7003 ± 0.3 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No