Information card for entry 1564229

Structure parameters

• Chemical name: 1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene
• Formula: C33 H34 F6 S2 Si2
• Calculated formula: C33 H34 F6 S2 Si2
• Title of publication: Molecular crystalline capsules that release their contents by light
• Authors of publication: Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 18.1941 ± 0.0003 Å
• b: 10.9554 ± 0.0002 Å
• c: 33.6907 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6715.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.4298 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No