Information card for entry 2207477

Structure parameters

• Chemical name: 1,2-Bis[2-ethyl-5-(2,2-dicyanovinyl)-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene
• Formula: C25 H14 F6 N4 S2
• Calculated formula: C25 H14 F6 N4 S2
• Title of publication: 1,2-Bis[5-(2,2-dicyanovinyl)-2-ethyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, a new photochromic diarylethene compound
• Authors of publication: Pu, Shou-Zhi; Yang, Tian-She; Wang, Ru-Ji; Xu, Jing-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4077 - o4079
• a: 8.4786 ± 0.0007 Å
• b: 8.4786 ± 0.0007 Å
• c: 59.562 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3708.1 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes