Information card for entry 7135742

Structure parameters

• Formula: C104.6 H112.4 O2.6
• Calculated formula: C102 H102
• Title of publication: Synthesis, Crystal Structure, and Inherent Chirality in Hexa(tertbutylphenyl)-Substituted [6]Cycloparaphenylene
• Authors of publication: Zhang, Xiaoyu; Zhang, Xingyu; Lu, Dapeng; Huang, Qiang; Du, Pingwu
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 14.1436 ± 0.0012 Å
• b: 17.1687 ± 0.0015 Å
• c: 20.6678 ± 0.0017 Å
• α: 108.502 ± 0.003°
• β: 95.339 ± 0.004°
• γ: 113.214 ± 0.003°
• Cell volume: 4234.8 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1042
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No