Information card for entry 7112631

Structure parameters

• Common name: Potassium (4-nitrophenylcarbamothioyl)(tosyl)amide
• Formula: C35.5 H39 K2 N6 O10.5 S4
• Calculated formula: C35.5 H39 K2 N6 O10.5 S4
• Title of publication: Mechanosynthesis of pharmaceutically relevant sulfonyl-(thio)ureas
• Authors of publication: Davin Tan; Vjekoslav Strukil; Cristina Mottillo; Tomislav Friscic
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5248
• a: 7.3664 ± 0.0012 Å
• b: 16.466 ± 0.003 Å
• c: 18.699 ± 0.003 Å
• α: 107.65 ± 0.002°
• β: 93.736 ± 0.002°
• γ: 96.762 ± 0.002°
• Cell volume: 2134.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1361
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No