Information card for entry 7225550

Structure parameters

• Formula: C28 H22 F6 S2
• Calculated formula: C28 H22 F6 S2
• SMILES: CC(C)c1c(c2ccccc2s1)C1=C(C(C(C1(F)F)(F)F)(F)F)c1c(C)sc(c1C)c1ccccc1
• Title of publication: Photoinduced topographical changes on microcrystalline surfaces of diarylethenes
• Authors of publication: Fujinaga, Noriko; Nishikawa, Naoki; Nishimura, Ryo; Hyodo, Kengo; Yamazoe, Seiji; Kojima, Yuko; Yamamoto, Kazuki; Tsujioka, Tsuyoshi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 38
• Pages of publication: 7229
• a: 10.1677 ± 0.0005 Å
• b: 14.6615 ± 0.0008 Å
• c: 17.0409 ± 0.0009 Å
• α: 90°
• β: 106.069 ± 0.001°
• γ: 90°
• Cell volume: 2441.1 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No