Information card for entry 2000880

Structure parameters

• Formula: C14 H12 Cl F O3 S
• Calculated formula: C14 H12 Cl F O3 S
• SMILES: C(OS(=O)(=O)c1ccc(cc1)Cl)C(F)c1ccccc1
• Title of publication: Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol
• Authors of publication: Jones, P. G.; Dölle, A.; 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: 838 - 841
• a: 12.079 ± 0.004 Å
• b: 7.87 ± 0.003 Å
• c: 15.337 ± 0.004 Å
• α: 90°
• β: 98.9 ± 0.03°
• γ: 90°
• Cell volume: 1440.4 ± 0.8 ų
• Number of distinct elements: 6
• 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