Information card for entry 2000888

Structure parameters

• Formula: C11 H22 O3 S
• Calculated formula: C11 H22 O3 S
• SMILES: S(=O)(=O)(OC1CCC(CC1)C(C)(C)C)C
• Title of publication: Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
• Authors of publication: Jones, P. G.; Kirby, A. J.; Parker, J. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 849 - 851
• a: 21.081 ± 0.003 Å
• b: 6.0693 ± 0.0006 Å
• c: 10.3058 ± 0.0016 Å
• α: 90°
• β: 94.944 ± 0.012°
• γ: 90°
• Cell volume: 1313.7 ± 0.3 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No