Information card for entry 8107607

Structure parameters

• Chemical name: 4-aminiumbiphenyl benzenesulfonate
• Formula: C18 H17 N O3 S
• Calculated formula: C18 H17 N O3 S
• SMILES: [NH3+]c1ccc(cc1)c1ccccc1.O=S(=O)([O-])c1ccccc1
• Title of publication: The crystal structure of 4-aminiumbiphenyl benzenesulfonate, C18H17NO3S
• Authors of publication: Shi, Chengzhe; Chen, Xinlei; Jin, Shouwen; Chen, Shiyi; Wang, Daqi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 945 - 947
• a: 32.036 ± 0.003 Å
• b: 7.2154 ± 0.0007 Å
• c: 7.4283 ± 0.0008 Å
• α: 90°
• β: 99.943 ± 0.002°
• γ: 90°
• Cell volume: 1691.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No