Information card for entry 7249252

Structure parameters

• Formula: C29 H18 F6 N2 S2
• Calculated formula: C29 H18 F6 N2 S2
• Title of publication: Reversible change of luster color from pale yellow to wine red in microcrystalline film by photochromic diarylethene having a naphthyl group
• Authors of publication: Shiromae, Ryotaro; Nakagawa, Yuma; Watanabe, Shota; Nishimura, Ryo; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 6.5925 ± 0.0001 Å
• b: 9.2167 ± 0.0002 Å
• c: 42.8136 ± 0.0009 Å
• α: 90°
• β: 93.633 ± 0.001°
• γ: 90°
• Cell volume: 2596.17 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No