Information card for entry 4000483

Structure parameters

• Chemical name: 2-bromo-1,3,4-trifluoro-9-hydroxyacridine
• Formula: C13 H5 Br F3 N O
• Calculated formula: C13 H5 Br F3 N O
• SMILES: Fc1c(F)c2cc3cccc(c3nc2c(c1Br)F)O
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 7.1417 ± 0.0006 Å
• b: 12.2055 ± 0.001 Å
• c: 13.7337 ± 0.0012 Å
• α: 110.432 ± 0.002°
• β: 95.879 ± 0.002°
• γ: 92.918 ± 0.002°
• Cell volume: 1111.09 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No