Information card for entry 7119138

Structure parameters

• Common name: 3PyMeBF3Ph_open
• Chemical name: Open-ring isomer of a diarylethene
• Formula: C39 H32 B2 F12 N2 S2
• Calculated formula: C39 H32 B2 F12 N2 S2
• Title of publication: Photoinduced reversible formation of a superhydrophilic surface by crystal growth of diarylethene
• Authors of publication: Kazuki Takase; Kengo Hyodo; Masakazu Morimoto; Yuko Kojima; Hiroyuki Mayama; Satoshi Yokojima; Shinichiro Nakamura; Kingo Uchida
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6885
• a: 17.8505 ± 0.0005 Å
• b: 8.3333 ± 0.0002 Å
• c: 13.1813 ± 0.0003 Å
• α: 90°
• β: 104.671 ± 0.001°
• γ: 90°
• Cell volume: 1896.84 ± 0.08 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2034
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No