Information card for entry 2001551

Structure parameters

• Formula: C8 H8 F N O2
• Calculated formula: C8 H8 F N O2
• Title of publication: Three monofluorinated small molecules: <i>ortho</i>-fluorophenylglycine, methyl 4-(fluorocarbonyl)benzoate and 16α-fluoro-α-estradiol 3-methyl ether
• Authors of publication: Burns, J. H.; Hagaman, E. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 1393 - 1396
• a: 15.738 ± 0.007 Å
• b: 4.854 ± 0.002 Å
• c: 9.944 ± 0.005 Å
• α: 90°
• β: 96.58 ± 0.02°
• γ: 90°
• Cell volume: 754.6 ± 0.6 ų
• Cell temperature: 297 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for significantly intense reflections: 1.95
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No