Information card for entry 1515924

Structure parameters

• Common name: 1,2-Bis(2-(2-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene
• Chemical name: 1,2-Bis(2-(2-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene
• Formula: C45 H30 F6 S2
• Calculated formula: C45 H30 F6 S2
• SMILES: CCc1sc(cc1C1=C(c2cc(sc2CC)c2ccc3c(c2)cc2c(c3)cccc2)C(C(C1(F)F)(F)F)(F)F)c1ccc2c(c1)cc1c(c2)cccc1
• Title of publication: Photochromism of dithienylethene single crystals having anthracene substituents.
• Authors of publication: Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2010
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 1079 - 1081
• a: 9.8101 ± 0.001 Å
• b: 11.5143 ± 0.0011 Å
• c: 16.5482 ± 0.0016 Å
• α: 72.389 ± 0.002°
• β: 86.286 ± 0.002°
• γ: 81.997 ± 0.002°
• Cell volume: 1763.8 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0919
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No