Information card for entry 7122126

Structure parameters

• Formula: C23 H22 N4 O6 S2
• Calculated formula: C23 H22 N4 O6 S2
• Title of publication: An anion receptor that facilitates transmembrane proton-anion symport by deprotonating its sulfonamide N-H proton.
• Authors of publication: Shinde, Sopan Valiba; Talukdar, Pinaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 73
• Pages of publication: 10351 - 10354
• a: 7.567 ± 0.002 Å
• b: 12.628 ± 0.004 Å
• c: 12.89 ± 0.004 Å
• α: 106.657 ± 0.006°
• β: 91.327 ± 0.007°
• γ: 92.275 ± 0.007°
• Cell volume: 1178.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No