Information card for entry 4103213

Structure parameters

• Chemical name: 1,2-Bis(2-methyl-5-(1-naphthyl)-3-thienyl)perfluorocyclopentene and perfluoronaphthalene
• Formula: C55 H22 F22 S2
• Calculated formula: C55 H22 F22 S2
• Title of publication: A Diarylethene Cocrystal that Converts Light into Mechanical Work
• Authors of publication: Masakazu Morimoto; Masahiro Irie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14172 - 14178
• a: 37.055 ± 0.007 Å
• b: 8.5204 ± 0.0017 Å
• c: 7.3284 ± 0.0014 Å
• α: 90°
• β: 95.687 ± 0.003°
• γ: 90°
• Cell volume: 2302.4 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No