Information card for entry 8106182

Structure parameters

• Formula: C25 H25 N O2 S
• Calculated formula: C25 H25 N O2 S
• SMILES: S(=O)(=O)(N1C=C(CC(C1)(c1ccccc1)c1ccccc1)C)c1ccc(C)cc1
• Title of publication: Crystal structure of 5-methyl-3,3-diphenyl-1-tosyl-1,2,3,4-tetrahydropyridine, C25H25NO2S
• Authors of publication: Huang, Xie; Wang, Ping-an; He, Wei; Ye, Xiaoxia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 457 - 458
• a: 9.371 ± 0.004 Å
• b: 11.397 ± 0.004 Å
• c: 9.777 ± 0.004 Å
• α: 90°
• β: 95.117 ± 0.006°
• γ: 90°
• Cell volume: 1040 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No