Information card for entry 1566625

Structure parameters

• Common name: C102H96O12F60(C6H12)
• Formula: C108 H108 F60 O12
• Calculated formula: C108 H108 F60 O12
• Title of publication: State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors
• Authors of publication: Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 69.979 ± 0.002 Å
• b: 13.9205 ± 0.0005 Å
• c: 24.2019 ± 0.0008 Å
• α: 90°
• β: 96.4154 ± 0.0012°
• γ: 90°
• Cell volume: 23428.5 ± 1.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No