Information card for entry 2229948

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-[(1<i>S</i>,2<i>S</i>)-Cyclohexane-1,2-diyl]bis(4- methylbenzenesulfonamide)
• Formula: C20 H26 N2 O4 S2
• Calculated formula: C20 H26 N2 O4 S2
• SMILES: S(=O)(=O)(c1ccc(C)cc1)N[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C)cc2)CCCC1
• Title of publication: <i>N</i>,<i>N</i>'-[(1<i>S</i>,2<i>S</i>)-Cyclohexane-1,2-diyl]bis(4-methylbenzenesulfonamide)
• Authors of publication: Hong, Yi-Ling; Tan, Hua-Jie; Shen, Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1121
• a: 11.5704 ± 0.0014 Å
• b: 12.2585 ± 0.0015 Å
• c: 15.3757 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2180.8 ± 0.5 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes