Information card for entry 2209903

Structure parameters

• Chemical name: 2,4,6-Tri(2,4,6-tribromophenoxy)-1,3,5-triazine
• Formula: C21 H6 Br9 N3 O3
• Calculated formula: C21 H6 Br9 N3 O3
• SMILES: Brc1c(Oc2nc(Oc3c(Br)cc(Br)cc3Br)nc(Oc3c(Br)cc(Br)cc3Br)n2)c(Br)cc(Br)c1
• Title of publication: 2,4,6-Tris(2,4,6-tribromophenoxy)-1,3,5-triazine
• Authors of publication: Feng Li; Hong-Quan Jiang; Xue-Mei Li; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3303 - o3304
• a: 42.524 ± 0.003 Å
• b: 42.524 ± 0.003 Å
• c: 8.427 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13197 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes