Information card for entry 2209084

Structure parameters

• Chemical name: Propane-1,3-diyl bis(p-toluenesulfonate)
• Formula: C17 H20 O6 S2
• Calculated formula: C17 H20 O6 S2
• Title of publication: Propane-1,3-diyl bis(<i>p</i>-toluenesulfonate)
• Authors of publication: Li, Qing-Xiang; Shen, Yun-Jun; Liu, Chang-Lin; Yu, Guo-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2464 - o2465
• a: 14.8505 ± 0.0019 Å
• b: 5.4005 ± 0.0007 Å
• c: 23.582 ± 0.003 Å
• α: 90°
• β: 100.824 ± 0.002°
• γ: 90°
• Cell volume: 1857.6 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• 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: 0.1028
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes