Information card for entry 7243302

Structure parameters

• Formula: C26 H24 N2 O14 S3
• Calculated formula: C26 H24 N2 O14 S3
• SMILES: S(=O)(=O)([O-])c1cc(c(O)cc1)C(=O)O.S(=O)(=O)(c1ccc([NH3+])cc1)c1ccc([NH3+])cc1.S(=O)(=O)([O-])c1cc(C(=O)O)c(O)cc1
• Title of publication: New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid
• Authors of publication: Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 35
• Pages of publication: 6191 - 6198
• a: 39.252 ± 0.005 Å
• b: 13.2429 ± 0.0016 Å
• c: 11.3983 ± 0.0015 Å
• α: 90°
• β: 103.326 ± 0.003°
• γ: 90°
• Cell volume: 5765.4 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.0741
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No