Information card for entry 2215678

Structure parameters

• Chemical name: 3,3,4,4,5,5-Hexafluoro-1,2-bis(5-formyl-2-n-heptyl-3-thienyl)cyclopent-1-ene
• Formula: C29 H34 F6 O2 S2
• Calculated formula: C29 H34 F6 O2 S2
• Title of publication: 3,3,4,4,5,5-Hexafluoro-1,2-bis(5-formyl-2-<i>n</i>-heptyl-3-thienyl)cyclopent-1-ene: a new photochromic diarylethene compound
• Authors of publication: Zhu, Shengsheng; Rao, Yi; Liu, Gang; Xie, Yihui; Pu, Shouzhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4175 - o4175
• a: 20.929 ± 0.007 Å
• b: 8.945 ± 0.003 Å
• c: 17.232 ± 0.006 Å
• α: 90°
• β: 109.905 ± 0.004°
• γ: 90°
• Cell volume: 3033.3 ± 1.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes