Information card for entry 1566627

Structure parameters

• Common name: pillar[5]arene-(C3H6C2F5)10_hex
• Formula: C91 H94 F50 O10
• Calculated formula: C91 H94 F50 O10
• 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: 20.9282 ± 0.0012 Å
• b: 22.7403 ± 0.0013 Å
• c: 24.2682 ± 0.0014 Å
• α: 98.976 ± 0.002°
• β: 98.951 ± 0.002°
• γ: 114.017 ± 0.0017°
• Cell volume: 10108.6 ± 1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.095
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No