Information card for entry 1508610

Structure parameters

• Formula: C41 H52 Ag F3 N4 O3 S
• Calculated formula: C41 H52 Ag F3 N4 O3 S
• SMILES: Cc1ccc(cc1)C[N]12CC[N]3(Cc4ccc(C)cc4)CC[N]4(Cc5ccc(C)cc5)CC[N](CC1)(Cc1ccc(C)cc1)[Ag]234.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.
• Authors of publication: Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4576 - 4579
• a: 9.8862 ± 0.0016 Å
• b: 14.843 ± 0.003 Å
• c: 27.08 ± 0.004 Å
• α: 90°
• β: 90.119 ± 0.003°
• γ: 90°
• Cell volume: 3973.7 ± 1.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No