Information card for entry 7226714

Structure parameters

• Formula: C41 H34 F6 O4 S2
• Calculated formula: C41 H34 F6 O4 S2
• Title of publication: Turn-on mode fluorescence photoswitching of diarylethene single crystals
• Authors of publication: Morimoto, Masakazu; Kashihara, Ryota; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 38
• Pages of publication: 7241
• a: 14.5618 ± 0.0003 Å
• b: 16.5325 ± 0.0004 Å
• c: 31.0145 ± 0.0007 Å
• α: 90°
• β: 100.296 ± 0.0009°
• γ: 90°
• Cell volume: 7346.3 ± 0.3 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: 0.049
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No