Information card for entry 2000877

Structure parameters

• Formula: C14 H12 F N O3
• Calculated formula: C14 H13 F2 N O3
• Title of publication: Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrophenyl ether and the 4-nitrobenzoate ester 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: 835 - 837
• a: 8.333 ± 0.0016 Å
• b: 5.5554 ± 0.0016 Å
• c: 27.182 ± 0.007 Å
• α: 90°
• β: 90.78 ± 0.03°
• γ: 90°
• Cell volume: 1258.2 ± 0.5 ų
• Number of distinct elements: 5
• 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