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Information card for entry 1566625
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Coordinates | 1566625.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | C102H96O12F60(C6H12) |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/1566625.html
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Users of the data should acknowledge the original authors of the
structural data.