Information card for entry 2216972

Structure parameters

• Chemical name: 2-(2,3,5,6-Tetrafluoro-4-iodoanilino)ethanol
• Formula: C8 H6 F4 I N O
• Calculated formula: C8 H6 F4 I N O
• Title of publication: 2-(2,3,5,6-Tetrafluoro-4-iodoanilino)ethanol
• Authors of publication: Pierangelo Metrangolo; Franck Meyer; Tullio Pilati; Giuseppe Resnati
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o211 - o211
• a: 13.327 ± 0.002 Å
• b: 17.663 ± 0.003 Å
• c: 8.3044 ± 0.0014 Å
• α: 90°
• β: 96.94 ± 0.02°
• γ: 90°
• Cell volume: 1940.5 ± 0.6 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes