Information card for entry 2239989

Structure parameters

• Chemical name: 2-(1,3,7,9-Tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-<i>d</i>:6,5-<i>d</i>']dipyrimidin-5-yl)benzamide <i>N</i>,<i>N</i>-dimethylformamide hemisolvate
• Formula: C43 H43 N13 O11
• Calculated formula: C43 H43 N13 O11
• Title of publication: Crystal structure of 2-(1,3,7,9-tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-<i>d</i>:6,5-<i>d</i>']dipyrimidin-5-yl)benzamide dimethylformamide hemisolvate
• Authors of publication: Ayvazyan, Armen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 213 - 215
• a: 26.173 ± 0.004 Å
• b: 26.173 ± 0.004 Å
• c: 12.434 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8518 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes