Information card for entry 8106864

Structure parameters

• Formula: C25 H30 Cl2 F3 N5 O6
• Calculated formula: C25 H30 Cl2 F3 N5 O6
• Title of publication: Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C25H32Cl2F3N5O6
• Authors of publication: Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; Quah, Ching-Kheng; Fun, Hoong-Kun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 321 - 323
• a: 11.0768 ± 0.0004 Å
• b: 15.662 ± 0.0005 Å
• c: 16.683 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2894.25 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No