Information card for entry 2237293

Structure parameters

• Chemical name: 3,3',5,5'-Tetra-<i>tert</i>-butyl-2'-hydroxy-[1,1'-biphenyl]-2-yl 4-methylbenzenesulfonate
• Formula: C35 H48 O4 S
• Calculated formula: C35 H48 O4 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
• Title of publication: 3,3',5,5'-Tetra-<i>tert</i>-butyl-2'-hydroxy-[1,1'-biphenyl]-2-yl 4-methylbenzenesulfonate
• Authors of publication: Jian, Chunli; Zhang, Jinjin; Wang, Lei; Tang, Ning; Wu, Jincai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o186
• a: 9.885 ± 0.002 Å
• b: 12.948 ± 0.003 Å
• c: 13.6 ± 0.003 Å
• α: 101.761 ± 0.002°
• β: 102.539 ± 0.002°
• γ: 92.004 ± 0.002°
• Cell volume: 1657.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.171
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes