Information card for entry 7225551

Structure parameters

• Formula: C28 H22 F6 S2
• Calculated formula: C28 H22 F6 S2
• SMILES: c1(C2S[C@]3([C@@]4(C(C)C)C(=C5C(C(C(C5=C3C=2C)(F)F)(F)F)(F)F)c2ccccc2S4)C)ccccc1.c1(C2S[C@@]3([C@]4(C(C)C)C(=C5C(C(C(C5=C3C=2C)(F)F)(F)F)(F)F)c2ccccc2S4)C)ccccc1
• 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: 21.9703 ± 0.0011 Å
• b: 10.0662 ± 0.0005 Å
• c: 21.3 ± 0.0011 Å
• α: 90°
• β: 93.092 ± 0.001°
• γ: 90°
• Cell volume: 4703.8 ± 0.4 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: 0.0554
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No