Information card for entry 7053779

Structure parameters

• Chemical name: 2-(6,6,7,7,8,8-Hexafluoro-2-phenyl-4-trimethylsilanyl- 7,8-dihydro-6H-3-thia-as-indacen-5-yl)-1-phenyl- ethenethiol
• Formula: C28 H22 F6 S2 Si
• Calculated formula: C28 H22 F6 S2 Si
• SMILES: s1c2c(cc1c1ccccc1)c1C(F)(F)C(F)(F)C(F)(F)c1c(c2[Si](C)(C)C)/C=C(\S)c1ccccc1
• Title of publication: The irreversible thermo-bleaching function of a photochromic diarylethene having trimethylsilyl groups
• Authors of publication: Kobatake, Seiya; Imagawa, Hiroyuki; Nakatani, Hidenori; Nakashima, Seiichiro
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 1362
• a: 13.994 ± 0.012 Å
• b: 16.162 ± 0.015 Å
• c: 23.68 ± 0.02 Å
• α: 90°
• β: 94.73 ± 0.04°
• γ: 90°
• Cell volume: 5337 ± 8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.2809
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.3047
• Weighted residual factors for all reflections included in the refinement: 0.3798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No