Information card for entry 2209530

Structure parameters

• Chemical name: 1,2-Bis[5-(2,4-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene
• Formula: C27 H14 F10 S2
• Calculated formula: C27 H14 F10 S2
• Title of publication: 1,2-Bis[5-(2,4-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a new photochromic diarylethene compound
• Authors of publication: Liu, Gang; Xu, Chun-Yan; Pu, Shou-Zhi; Xu, Jing-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3028 - o3030
• a: 11.873 ± 0.005 Å
• b: 13.106 ± 0.005 Å
• c: 16.653 ± 0.007 Å
• α: 101.505 ± 0.008°
• β: 94.504 ± 0.009°
• γ: 92.914 ± 0.008°
• Cell volume: 2525.6 ± 1.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.208
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes