Information card for entry 2210219

Structure parameters

• Common name: 5,6-bis(endo-p-toluenesulfonyloxymethyl)-bicyclo[2.2.1]hept-2-ene
• Chemical name: endo-Bicyclo[2.2.1]hept-2-ene-5,6-dimethylene bis(p-toluenesulfonate)
• Formula: C23 H26 O6 S2
• Calculated formula: C23 H26 O6 S2
• SMILES: S(=O)(=O)(OC[C@@H]1[C@@H]2C=C[C@H]([C@@H]1COS(=O)(=O)c1ccc(cc1)C)C2)c1ccc(C)cc1
• Title of publication: <i>endo</i>-Bicyclo[2.2.1]hept-2-ene-5,6-dimethylene bis(<i>p</i>-toluenesulfonate)
• Authors of publication: Xiao-Hong Ren; Lili Sun; Wu Li; Yu-Ping Guo; Fei Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3660 - o3661
• a: 14.139 ± 0.002 Å
• b: 13.186 ± 0.002 Å
• c: 13.626 ± 0.002 Å
• α: 90°
• β: 115.424 ± 0.003°
• γ: 90°
• Cell volume: 2294.4 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes