Information card for entry 1515912

Structure parameters

• Common name: 1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene (88%) and 1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15- dithiatetracyclo-(10.3.0.0<2,6>.0<7,11>) pentadeca-4,6(7),11(12),13- tetraene (12%)
• Chemical name: 1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene (88%) and 1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo- [10.3.0.0<2,6>.0<7,11>] pentadeca-4,6(7),11(12),13-tetraene (12%)
• Formula: C29 H22 F6 S2
• Calculated formula: C29 H22 F6 S2
• Title of publication: Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.
• Authors of publication: Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2010
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 221 - 225
• a: 22.3 ± 0.03 Å
• b: 11.026 ± 0.018 Å
• c: 10.542 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2592 ± 7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2251
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No