Information card for entry 2232242

Structure parameters

• Chemical name: 3-(Trimethylsilyl)prop-2-ynyl <i>p</i>-toluenesulfonate
• Formula: C13 H18 O3 S Si
• Calculated formula: C13 H18 O3 S Si
• Title of publication: 3-(Trimethylsilyl)prop-2-ynyl <i>p</i>-toluenesulfonate
• Authors of publication: Schmitt, Devin C.; Morales, Guillermo A.; Fronczek, Frank R.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3110
• a: 10.6857 ± 0.0004 Å
• b: 12.9413 ± 0.0005 Å
• c: 11.8793 ± 0.0004 Å
• α: 90°
• β: 113.471 ± 0.002°
• γ: 90°
• Cell volume: 1506.83 ± 0.1 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Cell measurement pressure: 101.3 kPa
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes