Information card for entry 8106924

Structure parameters

• Formula: C23 H30 F N5 O6
• Calculated formula: C23 H30 F N5 O6
• Title of publication: Crystal structure of diethylammonium 5-((4-fluorophenyl)(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate, C23H30FN5O6
• Authors of publication: Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; El Ashry, El Sayed H.; Warad, Ismail; Fun, Hoong-Kun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 507 - 509
• a: 9.5772 ± 0.0003 Å
• b: 15.9466 ± 0.0005 Å
• c: 15.838 ± 0.0005 Å
• α: 90°
• β: 103.951 ± 0.001°
• γ: 90°
• Cell volume: 2347.49 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No