Information card for entry 7158613

Structure parameters

• Formula: C26 H16 F8 N2 S2
• Calculated formula: C26 H16 F8 N2 S2
• Title of publication: Photoinduced cytotoxicity of photochromic symmetric diarylethene derivatives: the relation of structure and cytotoxicity
• Authors of publication: Nakagawa, Yuma; Hishida, Tatsuya; Hatano, Eri; Sumaru, Kimio; Morishita, Kana; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 6.9257 ± 0.0003 Å
• b: 28.2706 ± 0.0015 Å
• c: 12.4537 ± 0.0006 Å
• α: 90°
• β: 99.8416 ± 0.0017°
• γ: 90°
• Cell volume: 2402.5 ± 0.2 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 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: 0.0594
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No