Information card for entry 2221187

Structure parameters

• Chemical name: 4-Methyl-2,4,6-triphenyl-4<i>H</i>-thiopyran
• Formula: C24 H20 S
• Calculated formula: C24 H20 S
• SMILES: S1C(=CC(C=C1c1ccccc1)(C)c1ccccc1)c1ccccc1
• Title of publication: 4-Methyl-2,4,6-triphenyl-4<i>H</i>-thiopyran
• Authors of publication: Rahmani, Hossein; Pirelahi, Hooshang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o603
• a: 9.8737 ± 0.0002 Å
• b: 22.5282 ± 0.0004 Å
• c: 9.2288 ± 0.0002 Å
• α: 90°
• β: 118.987 ± 0.001°
• γ: 90°
• Cell volume: 1795.67 ± 0.06 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes