Information card for entry 2014994

Structure parameters

• Chemical name: 1,2-Bis[5-(1,3-dioxolan-2-yl)-2-ethyl-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene
• Formula: C23 H22 F6 O4 S2
• Calculated formula: C23 H22 F6 O4 S2
• Title of publication: 1,2-Bis[5-(1,3-dioxolan-2-yl)-2-ethyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, a photochromic dithienylethene
• Authors of publication: Pu, Shou-Zhi; Yang, Tian-She; Wang, Ru-Ji; Xu, Jing-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o568 - o570
• a: 13.353 ± 0.002 Å
• b: 13.37 ± 0.002 Å
• c: 13.6 ± 0.003 Å
• α: 90°
• β: 96.796 ± 0.011°
• γ: 90°
• Cell volume: 2410.9 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No