Information card for entry 2000898

Structure parameters

• Formula: C11 H21 F O3 S
• Calculated formula: C11 H21 F O3 S
• SMILES: S(=O)(=O)(O[C@H]1[C@H](F)CC[C@@H](C1)C(C)(C)C)C.S(=O)(=O)(O[C@@H]1[C@@H](F)CC[C@H](C1)C(C)(C)C)C
• Title of publication: Bond length and reactivity. The effect of β-fluorine. Structure of the methanesulfonate ester of <i>trans</i>,<i>trans</i>-5-<i>tert</i>-butyl-2-fluorocyclohexanol
• 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: 864 - 866
• a: 10.249 ± 0.002 Å
• b: 8.853 ± 0.002 Å
• c: 29.687 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2693.6 ± 0.9 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No