Information card for entry 2237332

Structure parameters

• Chemical name: 1,3-Bis[(<i>tert</i>-butylsulfanyl)methyl]-2,4,6-trimethylbenzene
• Formula: C19 H32 S2
• Calculated formula: C19 H32 S2
• Title of publication: 1,3-Bis[(<i>tert</i>-butylsulfanyl)methyl]-2,4,6-trimethylbenzene
• Authors of publication: Paz-Morales, Evelyn; Basauri-Molina, Manuel; Germán-Acacio, Juan Manuel; Reyes-Martínez, Reyna; Morales-Morales, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o306
• a: 14.87 ± 0.004 Å
• b: 14.233 ± 0.003 Å
• c: 9.245 ± 0.002 Å
• α: 90°
• β: 103.693 ± 0.004°
• γ: 90°
• Cell volume: 1901 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes