Information card for entry 2228523

Structure parameters

• Chemical name: 3,6,8-Tribromoquinoline
• Formula: C9 H4 Br3 N
• Calculated formula: C9 H4 Br3 N
• SMILES: Brc1c2ncc(Br)cc2cc(Br)c1
• Title of publication: 3,6,8-Tribromoquinoline
• Authors of publication: Çelik, Ísmail; Akkurt, Mehmet; Ökten, Salih; Çakmak, Osman; García-Granda, Santiago
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3133
• a: 3.981 ± 0.0002 Å
• b: 12.4176 ± 0.0004 Å
• c: 19.7419 ± 0.0006 Å
• α: 90°
• β: 92.827 ± 0.003°
• γ: 90°
• Cell volume: 974.74 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes