Information card for entry 7132225

Structure parameters

• Formula: C136 H120 N16
• Calculated formula: C136 H120 N16
• 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: 19.1737 ± 0.0008 Å
• b: 23.2224 ± 0.0007 Å
• c: 25.1475 ± 0.0012 Å
• α: 90°
• β: 104.363 ± 0.005°
• γ: 90°
• Cell volume: 10847.2 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.1987
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.281
• Weighted residual factors for all reflections included in the refinement: 0.3371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No