Information card for entry 2222424

Structure parameters

• Chemical name: 3,3'-Di-tert-butyl-2'-hydroxy-5,5',6,6'-tetramethylbiphenyl-2-yl benzenesulfonate
• Formula: C30 H38 O4 S
• Calculated formula: C30 H38 O4 S
• SMILES: S(=O)(=O)(Oc1c(c2c(O)c(cc(c2C)C)C(C)(C)C)c(c(cc1C(C)(C)C)C)C)c1ccccc1
• Title of publication: 3,3'-Di-tert-butyl-2'-hydroxy-5,5',6,6'-tetramethylbiphenyl-2-yl benzenesulfonate
• Authors of publication: Chen, Po-Sheng; Lin, Chia-Her; Ko, Bao-Tsan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1534
• a: 9.9909 ± 0.0007 Å
• b: 13.361 ± 0.0011 Å
• c: 20.2884 ± 0.0016 Å
• α: 90°
• β: 93.428 ± 0.003°
• γ: 90°
• Cell volume: 2703.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes