Information card for entry 2202982

Structure parameters

• Chemical name: 2,4,6-Trimethyl-1,3,5-tris(4-methylthiazol-2-ylsulfanylmethyl)benzene
• Formula: C24 H27 N3 S6
• Calculated formula: C24 H27 N3 S6
• SMILES: Cc1c(CSc2scc(n2)C)c(C)c(c(c1CSc1scc(n1)C)C)CSc1scc(n1)C
• Title of publication: 2,4,6-Trimethyl-1,3,5-tris(4-methylthiazol-2-ylsulfanylmethyl)benzene
• Authors of publication: Liu, Hui-Min; Zhang, Wei; Zhang, Wen-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1249 - o1250
• a: 12.216 ± 0.004 Å
• b: 17.801 ± 0.005 Å
• c: 12.528 ± 0.004 Å
• α: 90°
• β: 93.42 ± 0.006°
• γ: 90°
• Cell volume: 2719.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1471
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes