Information card for entry 8101812

Structure parameters

• Chemical name: trans-4-benzyl-4-methyl-2,6-diphenyl-4H-thiopyran-1-oxide
• Formula: C25 H22 O S
• Calculated formula: C25 H22 O S
• Title of publication: Crystal structures of cis- and trans-4-benzyl-4-methyl-2,6-diphenyl- 4H-thiopyran-1-oxide, C~25~H~22~OS
• Authors of publication: F. Jafarpour; H. Pirelahi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 420 - 424
• a: 19.7176 ± 0.0012 Å
• b: 11.8772 ± 0.0007 Å
• c: 19.6879 ± 0.0012 Å
• α: 90°
• β: 118.942 ± 0.005°
• γ: 90°
• Cell volume: 4034.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No