Information card for entry 2239771

Structure parameters

• Common name: Kalium-4-azido-bezolsulfonat
• Chemical name: Potassium 4-azidobenzenesulfonate
• Formula: C6 H4 K N3 O3 S
• Calculated formula: C6 H4 K N3 O3 S
• SMILES: [K+].S(=O)(=O)([O-])c1ccc(N=N#N)cc1
• Title of publication: Potassium 4-azidobenzenesulfonate
• Authors of publication: Biesemeier, Frank; Geiseler, Gertraud; Harms, Klaus; Müller, Ulrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: m300
• a: 5.422 ± 0.0005 Å
• b: 7.9937 ± 0.0007 Å
• c: 19.267 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 835.07 ± 0.14 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes