Information card for entry 7053778

Structure parameters

• Chemical name: 1,2-Bis(2-trimethylsilyl-5-phenyl-3-thienyl)perfluorocyclopentene
• Formula: C31 H30 F6 S2 Si2
• Calculated formula: C31 H30 F6 S2 Si2
• SMILES: s1c([Si](C)(C)C)c(cc1c1ccccc1)C1=C(C(F)(F)C(F)(F)C1(F)F)c1c(sc(c1)c1ccccc1)[Si](C)(C)C
• 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: 8.959 ± 0.016 Å
• b: 10.52 ± 0.02 Å
• c: 17.69 ± 0.03 Å
• α: 97.56 ± 0.09°
• β: 97.02 ± 0.08°
• γ: 107.21 ± 0.08°
• Cell volume: 1556 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No