Information card for entry 2207423

Structure parameters

• Chemical name: Dihydroxonium 1,5-naphthalenedisulfonate N,N-dimethylformamide disolvate
• Formula: C16 H26 N2 O10 S2
• Calculated formula: C16 H26 N2 O10 S2
• SMILES: c1cc(c2c(c(ccc2)S(=O)(=O)[O-])c1)S(=O)(=O)[O-].CN(C=O)C.[OH3+].CN(C)C=O.[OH3+]
• Title of publication: Dihydroxonium 1,5-naphthalenedisulfonate <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4175 - o4176
• a: 9.1614 ± 0.0018 Å
• b: 12.101 ± 0.002 Å
• c: 10.053 ± 0.002 Å
• α: 90°
• β: 100.1 ± 0.03°
• γ: 90°
• Cell volume: 1097.2 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes