Information card for entry 1514341

Structure parameters

• Formula: C27 H50 N2 O8 S2
• Calculated formula: C27 H50 N2 O8 S2
• SMILES: CCCCCCCCCCCCCCCCOc1ccc2c(c1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].CO.[NH4+].[NH4+]
• Title of publication: Pattern-based sensing of aminoglycosides with fluorescent amphiphiles
• Authors of publication: Köstereli, Ziya; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2456
• a: 6.53547 ± 0.00018 Å
• b: 9.4651 ± 0.0004 Å
• c: 26.193 ± 0.001 Å
• α: 83.956 ± 0.003°
• β: 84.79 ± 0.003°
• γ: 89.716 ± 0.003°
• Cell volume: 1604.59 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No