Information card for entry 1564227

Structure parameters

• Chemical name: 7,7,8,8,9,9-Hexafluoro-3a,3b-dimethyl-2,5-bis(3-trimethylsilylphenyl)-3b,7,8,9-tetrahydro-3aH-3,4-dithia -triindene
• 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: 6.7829 ± 0.0002 Å
• b: 24.0037 ± 0.0009 Å
• c: 20.7451 ± 0.0008 Å
• α: 90°
• β: 96.5736 ± 0.0013°
• γ: 90°
• Cell volume: 3355.4 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No