Information card for entry 2213822

Structure parameters

• Chemical name: 5-Fluorophenyl-1,3,7,9-tetramethylpyrido[2,3-d:6,5-d]dipyrimidine- 2,4,6,8(1H,3H,7H,9H)-tetrone
• Formula: C19 H16 F N5 O4
• Calculated formula: C19 H16 F N5 O4
• SMILES: c1(ccc(cc1)c1c2C(=O)N(C)C(=O)N(C)c2nc2c1C(=O)N(C(=O)N2C)C)F
• Title of publication: 5-(4-Fluorophenyl)-1,3,7,9-tetramethylpyrido[2,3-<i>d</i>:6,5-<i>d</i>]dipyrimidine-2,4,6,8(1<i>H</i>,3<i>H</i>,7<i>H</i>,9<i>H</i>)-tetrone
• Authors of publication: Ghorbani, Hosein; Bazgir, Ayoob
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2790 - o2790
• a: 9.074 ± 0.002 Å
• b: 10.93 ± 0.003 Å
• c: 20.091 ± 0.005 Å
• α: 75.04 ± 0.02°
• β: 76.82 ± 0.02°
• γ: 70.93 ± 0.02°
• Cell volume: 1796.8 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes