Information card for entry 7119692

Structure parameters

• Formula: C20 H14 F6 N2 O4 S2
• Calculated formula: C20 H14 F6 N2 O4 S2
• SMILES: S(=O)(=O)(Nc1c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cccc1)c1ccc(cc1)C(F)(F)F
• Title of publication: Bis(sulfonamide) transmembrane carriers allow pH-gated inversion of ion selectivity.
• Authors of publication: Roy, Arundhati; Biswas, Oindrila; Talukdar, Pinaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 3122 - 3125
• a: 6.78 ± 0.005 Å
• b: 13.746 ± 0.011 Å
• c: 22.746 ± 0.019 Å
• α: 78.06 ± 0.02°
• β: 85.26 ± 0.02°
• γ: 88.54 ± 0.02°
• Cell volume: 2067 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2736
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.2573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No