Information card for entry 2207478

Structure parameters

• Chemical name: 1-[2-Methyl-5-(2-fluorophenyl)-3-thienyl]-2-(2-methyl-5-phenyl-3-thienyl)- 3,3,4,4,5,5-hexafluorocyclopent-1-ene
• Formula: C27 H17 F7 S2
• Calculated formula: C27 H17 F7 S2
• Title of publication: 3,3,4,4,5,5-Hexafluoro-1-[2-methyl-5-(2-fluorophenyl)-3-thienyl]-2-(2-methyl-5-phenyl-3-thienyl)cyclopent-1-ene, a new photochromic dithienylethene
• Authors of publication: Pu, Shou-Zhi; Li, Gui-Zhen; Wang, Ru-Ji; Zhao, Ji-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4246 - o4249
• a: 11.8563 ± 0.0015 Å
• b: 13.7789 ± 0.0018 Å
• c: 15.281 ± 0.002 Å
• α: 81.368 ± 0.009°
• β: 82.348 ± 0.009°
• γ: 82.442 ± 0.009°
• Cell volume: 2430.3 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes