Information card for entry 2220432

Structure parameters

• Chemical name: 2,4-Di-<i>tert</i>-butyl-6-[1-(3,5-di-<i>tert</i>-butyl-2- hydroxyphenyl)ethyl]phenyl 4-methylbenzenesulfonate
• Formula: C37 H52 O4 S
• Calculated formula: C37 H52 O4 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)C
• Title of publication: 2,4-Di-<i>tert</i>-butyl-6-[1-(3,5-di-<i>tert</i>-butyl-2-hydroxyphenyl)ethyl]phenyl 4-methylbenzenesulfonate
• Authors of publication: Wu, Jincai; Pan, Xiaobo; Wang, Lei; Yao, Lihui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o155
• a: 13.893 ± 0.002 Å
• b: 15.76 ± 0.002 Å
• c: 17.525 ± 0.003 Å
• α: 90°
• β: 107.262 ± 0.003°
• γ: 90°
• Cell volume: 3664.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes