Information card for entry 2239070

Structure parameters

• Chemical name: 1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
• Formula: C24 H21 N3 O6
• Calculated formula: C24 H21 N3 O6
• SMILES: COc1ccc(cc1)N1C(=O)N(c2ccc(cc2)OC)C(=O)N(C1=O)c1ccc(cc1)OC
• Title of publication: 1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
• Authors of publication: Fang, Li; Li, Feifei; Luo, Xuemei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o118
• a: 13.2008 ± 0.0014 Å
• b: 13.2008 ± 0.0014 Å
• c: 26.695 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4028.7 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes