Information card for entry 2221190

Structure parameters

• Chemical name: 4-(4-Bromophenyl)-2-methyl-2,6-diphenyl-2<i>H</i>-thiopyran
• Formula: C24 H19 Br S
• Calculated formula: C24 H19 Br S
• SMILES: Brc1ccc(C2=CC(SC(=C2)c2ccccc2)(C)c2ccccc2)cc1
• Title of publication: 4-(4-Bromophenyl)-2-methyl-2,6-diphenyl-2<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: o606
• a: 23.3348 ± 0.0008 Å
• b: 5.9991 ± 0.0002 Å
• c: 13.6866 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1915.96 ± 0.12 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes