Information card for entry 2000236

Structure parameters

• Formula: C13 H24 O3 S
• Calculated formula: C13 H24 O3 S
• SMILES: C=CCS([C@H]1[C@@H](O)[C@]2(C([C@@H]1CC2)(C)C)C)(=O)=O
• Title of publication: Structures of (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol (I) and (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II)
• Authors of publication: Declercq, J.-P.; Feneau-Dupont, J.; Huart, C.; Nemery, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 2234 - 2236
• a: 11.737 ± 0.002 Å
• b: 21.244 ± 0.004 Å
• c: 22.932 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5717.9 ± 1.6 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No