Information card for entry 2001082

Structure parameters

• Formula: C22 H38 O6 S
• Calculated formula: C22 H38 O6 S
• SMILES: COC(C[C@H](S(=O)(=O)[C@@]1(C)[C@@H](O)[C@]2(C([C@@H]1CC2)(C)C)C)[C@H]1CCCC(=O)C1)OC
• Title of publication: Structure of [(1<i>S</i>)-1-[(1'<i>S</i>)-3'-oxocyclohexyl]-3,3-dimethoxy-1-propyl] [(1<i>S</i>,2<i>S</i>,3<i>R</i>)-1,3,7,7-tetramethyl-2-hydroxy-3-bicyclo[2.2.1]heptyl] sulfone
• Authors of publication: Feneau-Dupont, J.; Declercq, J.-P.; Huart, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 402 - 404
• a: 6.922 ± 0.002 Å
• b: 16.733 ± 0.002 Å
• c: 10.07 ± 0.003 Å
• α: 90°
• β: 96.88 ± 0.02°
• γ: 90°
• Cell volume: 1158 ± 0.5 ų
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No