Information card for entry 2208108

Structure parameters

• Chemical name: 1,3,5-Tris(4-chlorophenyl)-1,3,5-triazinane-2,4,6-trione acetone solvate
• Formula: C25 H21 Cl3 N3 O4
• Calculated formula: C25 H21 Cl3 N3 O4
• SMILES: CC(O)(C)C.Clc1ccc(cc1)N1C(=O)N(c2ccc(cc2)Cl)C(=O)N(C1=O)c1ccc(cc1)Cl
• Title of publication: 1,3,5-Tris(4-chlorophenyl)-1,3,5-triazinane-2,4,6-trione acetone solvate
• Authors of publication: Yan-Ping Luo; Hong-Bin Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o538 - o539
• a: 12.7911 ± 0.0009 Å
• b: 12.7911 ± 0.0009 Å
• c: 26.403 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3741.1 ± 0.7 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes