Information card for entry 8105826

Structure parameters

• Formula: C27 H32 O3 S
• Calculated formula: C27 H32 O3 S
• SMILES: S(=O)(=O)(c1ccccc1)C(c1ccccc1)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
• Title of publication: The crystal structure of 2,6-di-tert-butyl-4-(phenyl(phenylsulfonyl)methyl)phenol, C27H32O3S
• Authors of publication: Liu, Zhang-Qin; Tang, Min; Zhang, Liang-Dong; You, Peng-Sheng; Liu, Sheng-Shu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 703 - 705
• a: 12.2441 ± 0.0002 Å
• b: 14.935 ± 0.0002 Å
• c: 15.2081 ± 0.0003 Å
• α: 73.671 ± 0.0016°
• β: 70.1267 ± 0.0017°
• γ: 70.7828 ± 0.0015°
• Cell volume: 2424.41 ± 0.08 ų
• Cell temperature: 297.1 ± 0.2 K
• Ambient diffraction temperature: 297.1 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: 0.0527
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No