Information card for entry 7132223

Structure parameters

• Formula: C120 H56 F32
• Calculated formula: C120 H56 F32
• Title of publication: Half-substituted fluorocycloparaphenylenes with high symmetry: Synthesis, properties and derivatization to densely substituted carbon nanorings
• Authors of publication: Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Yagi, Akiko; Itami, Kenichiro
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 19.8837 ± 0.0005 Å
• b: 18.2597 ± 0.0004 Å
• c: 27.4771 ± 0.0008 Å
• α: 90°
• β: 110.529 ± 0.003°
• γ: 90°
• Cell volume: 9342.6 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2678
• Weighted residual factors for all reflections included in the refinement: 0.3037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No