Information card for entry 2215810

Structure parameters

• Chemical name: 4,5,6,7-Tetrafluoro-2-(2-hydroxyphenyl)isoindoline-1,3-dione
• Formula: C14 H5 F4 N O3
• Calculated formula: C14 H5 F4 N O3
• SMILES: O=C1c2c(C(=O)N1c1ccccc1O)c(c(c(c2F)F)F)F
• Title of publication: 4,5,6,7-Tetrafluoro-2-(2-hydroxyphenyl)isoindoline-1,3-dione
• Authors of publication: Wang, Shou-Xin; Tian, Lai-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4382 - o4382
• a: 7.1741 ± 0.0014 Å
• b: 8.5862 ± 0.0017 Å
• c: 19.994 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1231.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes