Information card for entry 2201659

Structure parameters

• Formula: C24 H20 N2 O4 S2
• Calculated formula: C24 H20 N2 O4 S2
• SMILES: [nH+]1ccccc1.S(Sc1c(cccc1)C(=O)[O-])c1c(C(=O)[O-])cccc1.[nH+]1ccccc1
• Title of publication: Pyridinium 2,2'-dithiodisalicylate
• Authors of publication: Yao Kang; Rui-Feng Hu; Ye-Yan Qin; Zhao-Ji Li; Yu-Biao Chen; Yi-Hang Wen; Jian-Kai Cheng; Yuan-Gen Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o959 - o960
• a: 8.0936 ± 0.0004 Å
• b: 12.9825 ± 0.0006 Å
• c: 21.9157 ± 0.001 Å
• α: 90°
• β: 96.882 ± 0.001°
• γ: 90°
• Cell volume: 2286.2 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No