Information card for entry 2217685

Structure parameters

• Chemical name: <i>trans</i>-4-(Tosyloxymethyl)cyclohexanecarboxylic acid
• Formula: C15 H20 O5 S
• Calculated formula: C15 H20 O5 S
• Title of publication: <i>trans</i>-4-(Tosyloxymethyl)cyclohexanecarboxylic acid
• Authors of publication: Qi, Qing-Rong; Huang, Wen-Cai; Zheng, Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o405 - o405
• a: 5.9006 ± 0.0005 Å
• b: 7.088 ± 0.0009 Å
• c: 20.2754 ± 0.0018 Å
• α: 90.371 ± 0.003°
• β: 97.479 ± 0.002°
• γ: 111.222 ± 0.002°
• Cell volume: 782.44 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes