Information card for entry 2237761

Structure parameters

• Chemical name: 1,3,5-Tris(4-bromophenyl)-1,3,5-triazinane dichloromethane monosolvate
• Formula: C22 H20 Br3 Cl2 N3
• Calculated formula: C22 H20 Br3 Cl2 N3
• SMILES: Brc1ccc(cc1)N1CN(CN(C1)c1ccc(cc1)Br)c1ccc(cc1)Br.ClCCl
• Title of publication: 1,3,5-Tris(4-bromophenyl)-1,3,5-triazinane dichloromethane monosolvate
• Authors of publication: Chebbah, Mahmoud; Bouchemma, Ahcene; Bouacida, Sofiane; Lefrada, Leila; Bouhenguel, Mustapha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o976
• a: 6.0588 ± 0.0002 Å
• b: 14.3762 ± 0.0006 Å
• c: 15.1617 ± 0.0006 Å
• α: 65.323 ± 0.003°
• β: 89.759 ± 0.002°
• γ: 80.259 ± 0.002°
• Cell volume: 1179.46 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes