Information card for entry 7135758

Structure parameters

• Common name: C126H48O12F60(C6H12)
• Formula: C132 H60 F60 O12
• Calculated formula: C132 H60 F60 O12
• Title of publication: Supramolecular Glass Formation by Arene–Perfluoroarene Pairing of Three-Dimensional Macrocycles
• Authors of publication: Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Akine, Shigehisa; Ogoshi, Tomoki
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 17.197 ± 0.003 Å
• b: 18.846 ± 0.004 Å
• c: 19.143 ± 0.004 Å
• α: 76.9 ± 0.03°
• β: 85.27 ± 0.03°
• γ: 89.25 ± 0.03°
• Cell volume: 6022 ± 2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2423
• Residual factor for significantly intense reflections: 0.1337
• Weighted residual factors for significantly intense reflections: 0.3303
• Weighted residual factors for all reflections included in the refinement: 0.39
• Goodness-of-fit parameter for all reflections included in the refinement: 1.889
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No