Information card for entry 4111776

Structure parameters

• Common name: trimer
• Chemical name: 1-(5-(2-(3,5-dimethyl-2-thienyl)hexafluorocyclopententen- 1-yl)-2,4-dimethyl-3-thienyl)-2-(5-(2-(2,4-dimethyl-5- phenyl-3-thienyl)hexafluorocyclopentene-1-yl)-2,4-dimethyl- 3-thienyl)hexafluorocyclopentene
• Formula: C45 H30 F18 S4
• Calculated formula: C45 H30 F18 S4
• Title of publication: Full-Color Photochromism of a Fused Dithienylethene Trimer
• Authors of publication: Kenji Higashiguchi; Kenji Matsuda; Naoki Tanifuji; Masahiro Irie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 8922 - 8923
• a: 10.42 ± 0.002 Å
• b: 11.869 ± 0.002 Å
• c: 18.348 ± 0.004 Å
• α: 89.164 ± 0.003°
• β: 87.914 ± 0.003°
• γ: 73.491 ± 0.003°
• Cell volume: 2174.2 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1064
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No