Information card for entry 2000883

Structure parameters

• Formula: C8 H6 F3 N O5 S
• Calculated formula: C8 H6 F3 N O5 S
• Title of publication: Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and 2,2,2-trifluoroethanol
• 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: 841 - 844
• a: 5.2568 ± 0.0009 Å
• b: 5.7559 ± 0.0009 Å
• c: 36.385 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1100.9 ± 0.3 ų
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P 21 21 21
• 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