Information card for entry 2215499

Structure parameters

• Chemical name: Benzene-1,2,3-triyl tris(benzenesulfonate)
• Formula: C24 H18 O9 S3
• Calculated formula: C24 H18 O9 S3
• SMILES: c1(cccc(c1OS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1
• Title of publication: Benzene-1,2,3-triyl tris(benzenesulfonate)
• Authors of publication: Xiao, Zhu-Ping; Li, Huan-Qiu; Shi, Lei; Fang, Rui-Qin; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4130 - o4130
• a: 8.81 ± 0.0018 Å
• b: 31.318 ± 0.006 Å
• c: 9.046 ± 0.0018 Å
• α: 90°
• β: 103.42 ± 0.03°
• γ: 90°
• Cell volume: 2427.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes