Information card for entry 7053780

Structure parameters

• Chemical name: 4,4,5,6-Tetrafluoro-2,8-diphenyl-4H-1,9-dithia-trindene (1d)
• Formula: C25 H12 F4 S2
• Calculated formula: C25 H12 F4 S2
• Title of publication: The irreversible thermo-bleaching function of a photochromic diarylethene having trimethylsilyl groups
• Authors of publication: Kobatake, Seiya; Imagawa, Hiroyuki; Nakatani, Hidenori; Nakashima, Seiichiro
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 1362
• a: 19.245 ± 0.01 Å
• b: 24.97 ± 0.011 Å
• c: 3.9399 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1893.3 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 32
• Hermann-Mauguin space group symbol: P b a 2
• Hall space group symbol: P 2 -2ab
• Residual factor for all reflections: 0.1303
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No