Information card for entry 7158615

Structure parameters

• Formula: C33 H32 F6 N2 S2
• Calculated formula: C33 H32 F6 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: 11.99 ± 0.0005 Å
• b: 21.3155 ± 0.001 Å
• c: 12.2134 ± 0.0005 Å
• α: 90°
• β: 93.3338 ± 0.0017°
• γ: 90°
• Cell volume: 3116.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No