Information card for entry 2216882

Structure parameters

• Chemical name: Ethyl 3-(4-fluorophenyl)-6-methyl-4-oxo- 2-(1-cyclohexylamino)-3,4-dihydrofuro[2,3-d]pyrimidine-5-carboxylate
• Formula: C22 H24 F N3 O4
• Calculated formula: C22 H24 F N3 O4
• SMILES: CCOC(=O)c1c(C)oc2c1c(=O)n(c(n2)NC1CCCCC1)c1ccc(cc1)F
• Title of publication: Ethyl 3-(4-fluorophenyl)-6-methyl-4-oxo-2-(1-cyclohexylamino)-3,4-dihydrofuro[2,3-<i>d</i>]pyrimidine-5-carboxylate
• Authors of publication: Yong Sun; Guo-Ping Zeng; Yang-Gen Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o311 - o312
• a: 9.2051 ± 0.0008 Å
• b: 10.7957 ± 0.0009 Å
• c: 11.6601 ± 0.001 Å
• α: 106.681 ± 0.001°
• β: 100.417 ± 0.002°
• γ: 101.55 ± 0.002°
• Cell volume: 1051.86 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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 all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes