Information card for entry 4114519

Structure parameters

• Common name: guanidinium_4'-ethylbiphenyl-4-sulfonate
• Formula: C15 H19 N3 O3 S
• Calculated formula: C15 H19 N3 O3 S
• Title of publication: Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface
• Authors of publication: David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15922 - 15934
• a: 12.18 ± 0.004 Å
• b: 7.25 ± 0.002 Å
• c: 17.807 ± 0.005 Å
• α: 90°
• β: 100.204 ± 0.006°
• γ: 90°
• Cell volume: 1547.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No