Information card for entry 8104892

Structure parameters

• Common name: benzenesulphonic acid
• Chemical name: benzenesulphonic acid
• Formula: C6 H6 O3 S
• Calculated formula: C6 H6 O3 S
• Title of publication: Crystal structure of benzenesulphonic acid
• Authors of publication: Manana, Pholani; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 97 - 99
• a: 15.3524 ± 0.0008 Å
• b: 5.718 ± 0.0003 Å
• c: 15.3395 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1346.58 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No