Information card for entry 4023891

Structure parameters

• Formula: C11 H14 Ag F3 O4 S3
• Calculated formula: C11 H14 Ag F3 O4 S3
• SMILES: FC(F)(F)C(=O)O[Ag]12[S]3CC[S]2C(=O)CCCC(=O)[S]1CC3
• Title of publication: Thiamacrocyclic Lactones: New Ag(I)-Ionophores
• Authors of publication: Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9221 - 9227
• a: 19.452 ± 0.0017 Å
• b: 8.2944 ± 0.0008 Å
• c: 22 ± 0.05 Å
• α: 90°
• β: 115.78 ± 0.13°
• γ: 90°
• Cell volume: 3196 ± 7 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.3605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No