Information card for entry 2233336

Structure parameters

• Chemical name: Ethyl 2-diethylamino-4-oxo-3,5-diphenyl-4,5-dihydro-3<i>H</i>- pyrrolo[3,2-<i>d</i>]pyrimidine-7-carboxylate
• Formula: C25 H26 N4 O3
• Calculated formula: C25 H26 N4 O3
• SMILES: CCOC(=O)c1cn(c2c1nc(N(CC)CC)n(c2=O)c1ccccc1)c1ccccc1
• Title of publication: Ethyl 2-diethylamino-4-oxo-3,5-diphenyl-4,5-dihydro-3<i>H</i>-pyrrolo[3,2-<i>d</i>]pyrimidine-7-carboxylate
• Authors of publication: Gao, Hai-Tao; Li, Li; Ye, Fang; Hu, Yang-Gen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o118
• a: 19.481 ± 0.002 Å
• b: 12.0745 ± 0.0013 Å
• c: 10.4393 ± 0.0011 Å
• α: 90°
• β: 115.006 ± 0.002°
• γ: 90°
• Cell volume: 2225.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes