Information card for entry 8106117

Structure parameters

• Formula: C28 H35 N O3 S
• Calculated formula: C28 H35 N O3 S
• SMILES: S(=O)(=O)(NC(c1ccccc1)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1ccc(C)cc1
• Title of publication: The crystal structure of N-((3,5-di-tert-butyl-4-hydroxyphenyl)(phenyl)methyl)-4-methylbenzenesulfonamide, C28H35N3S
• Authors of publication: Guan, Xiao-Yu; Liu, Sheng-Shu; Zhang, Liang-Dong; Guo, Xin; Ma, Xuebing; Liu, Zhang-Qin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 259 - 261
• a: 10.3965 ± 0.0004 Å
• b: 10.7525 ± 0.0005 Å
• c: 12.2772 ± 0.0006 Å
• α: 86.651 ± 0.004°
• β: 86.653 ± 0.004°
• γ: 75.323 ± 0.004°
• Cell volume: 1324.05 ± 0.11 ų
• Cell temperature: 290.55 ± 0.1 K
• Ambient diffraction temperature: 290.55 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No