Information card for entry 7152235

Structure parameters

• Formula: C98 H148 Ag D12 F6 O16 P
• Calculated formula: C98 H160 Ag F6 O16 P
• SMILES: [Ag]1([CH]2=[C]3[C]4=[CH][C](=[C]2OC)[C@H](c2cc([C@H](c5cc6[C@H](c7cc(c(OC)cc7OCCOCCOCCOCCOc5cc6OC)[C@H]4CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)c(OC)cc2OCCOCC[O]1CCOCCO3)CCCCCCCCCCC)[O]=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.[Ag]1([CH]2=[C]3[C]4=[CH][C](=[C]2OC)[C@@H](c2cc([C@@H](c5cc6[C@@H](c7cc(c(OC)cc7OCCOCCOCCOCCOc5cc6OC)[C@@H]4CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)c(OC)cc2OCCOCC[O]1CCOCCO3)CCCCCCCCCCC)[O]=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films.
• Authors of publication: Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 2019 - 2025
• a: 12.2817 ± 0.0004 Å
• b: 60.688 ± 0.002 Å
• c: 13.4217 ± 0.0004 Å
• α: 90°
• β: 97.516 ± 0.002°
• γ: 90°
• Cell volume: 9917.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1846
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2245
• Weighted residual factors for all reflections included in the refinement: 0.2794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No