Information card for entry 7051144

Structure parameters

• Formula: C24 H22 Ag F3 O3 S
• Calculated formula: C24 H22 Ag F3 O3 S
• SMILES: [Ag]1234([CH]5=C6CCc7[cH]4[cH]3c(Cc3[cH]2[cH]1c(CCC5=CC=C6)cc3)cc7)OS(=O)(=O)C(F)(F)F
• Title of publication: Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes
• Authors of publication: Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 905
• a: 11.7142 ± 0.0006 Å
• b: 13.7436 ± 0.0005 Å
• c: 13.8602 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2231.43 ± 0.17 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No