Information card for entry 2000889

Structure parameters

• Formula: C19 H19 F O2
• Calculated formula: C19 H19 F O2
• SMILES: [C@@H]1([C@@H](CCCC1)F)OC(=O)c1ccc(cc1)c1ccccc1.[C@H]1([C@H](CCCC1)F)OC(=O)c1ccc(cc1)c1ccccc1
• Title of publication: Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate, the diphenyl phosphate and the 2-naphthalenesulfonate esters of <i>trans</i>-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: 852 - 855
• a: 6.971 ± 0.001 Å
• b: 9.3896 ± 0.0011 Å
• c: 23.826 ± 0.004 Å
• α: 90°
• β: 93.518°
• γ: 90°
• Cell volume: 1556.6 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No