Information card for entry 1566623

Structure parameters

• Common name: C85H130O10(C6H14)
• Formula: C91 H144 O10
• Calculated formula: C91 H144 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: 11.9787 ± 0.0005 Å
• b: 17.3956 ± 0.0007 Å
• c: 22.0177 ± 0.0009 Å
• α: 110.06 ± 0.001°
• β: 90.8994 ± 0.0013°
• γ: 101.377 ± 0.0011°
• Cell volume: 4207.6 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No