Information card for entry 2220945

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-[2-(3,5-Di-<i>tert</i>-butyl-2- hydroxybenzylideneamino)cyclohexyl]-4-methylbenzenesulfonamide
• Formula: C28 H40 N2 O3 S
• Calculated formula: C28 H40 N2 O3 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@H]1CCCC[C@@H]1/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C.Cc1ccc(cc1)S(=O)(=O)N[C@@H]1CCCC[C@H]1/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
• Title of publication: (<i>E</i>)-<i>N</i>-[2-(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzylideneamino)cyclohexyl]-4-methylbenzenesulfonamide
• Authors of publication: Wu, Jincai; Wang, Lei; Pan, Xiaobo; Yao, Lihui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o255
• a: 10.3873 ± 0.001 Å
• b: 25.773 ± 0.002 Å
• c: 10.4127 ± 0.001 Å
• α: 90°
• β: 97.269 ± 0.002°
• γ: 90°
• Cell volume: 2765.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes