Information card for entry 1515923

Structure parameters

• Common name: 1,2-Bis(2-(1-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene
• Chemical name: 1,2-Bis(2-(1-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene
• Formula: C45 H30 F6 S2
• Calculated formula: C45 H30 F6 S2
• SMILES: c1(c(cc(c2cccc3cc4ccccc4cc23)s1)C1=C(C(C(C1(F)F)(F)F)(F)F)c1c(CC)sc(c1)c1cccc2cc3ccccc3cc12)CC
• 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: 9.8648 ± 0.0009 Å
• b: 11.9212 ± 0.001 Å
• c: 15.7333 ± 0.0014 Å
• α: 70.46 ± 0.001°
• β: 82.316 ± 0.001°
• γ: 82.209 ± 0.001°
• Cell volume: 1719.8 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No