Information card for entry 2218389

Structure parameters

• Chemical name: 1-(2-Chlorophenyl)-2-(2-methyl-5-phenyl-3-thienyl)-3,3,4,4,5,5- hexafluorocyclopent-1-ene
• Formula: C22 H13 Cl F6 S
• Calculated formula: C22 H13 Cl F6 S
• Title of publication: 1-(2-Chlorophenyl)-2-(2-methyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a new photochromic diarylethene
• Authors of publication: Gong, Shanshan; Fan, Congbin; Liu, Weijun; Liu, Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1028
• a: 8.8064 ± 0.001 Å
• b: 10.4185 ± 0.0012 Å
• c: 11.6563 ± 0.0013 Å
• α: 85.265 ± 0.001°
• β: 76.935 ± 0.001°
• γ: 76.324 ± 0.001°
• Cell volume: 1011.8 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes