Information card for entry 2222357

Structure parameters

• Chemical name: 2-Amino-5,7-bis(4-fluorophenyl)-1',3'-dimethyl-7,8- dihydrospiro[pyrido[2,3-<i>d</i>]pyrimidine-6(5<i>H</i>),5'-pyrimidine]- 2',4,4',6'(3<i>H</i>,1'<i>H</i>,3'<i>H</i>,5'<i>H</i>)-tetraone ethanol solvate
• Formula: C26 H26 F2 N6 O5
• Calculated formula: C26 H26 F2 N6 O5
• SMILES: Fc1ccc([C@H]2Nc3nc([nH]c(=O)c3[C@H](C32C(=O)N(C(=O)N(C3=O)C)C)c2ccc(F)cc2)N)cc1.OCC.Fc1ccc([C@@H]2Nc3nc([nH]c(=O)c3[C@@H](C32C(=O)N(C(=O)N(C3=O)C)C)c2ccc(F)cc2)N)cc1.OCC
• Title of publication: 2-Amino-5,7-bis(4-fluorophenyl)-1',3'-dimethyl-7,8-dihydrospiro[pyrido[2,3-<i>d</i>]pyrimidine-6(5<i>H</i>),5'-pyrimidine]-2',4,4',6'(3<i>H</i>,1'<i>H</i>,3'<i>H</i>,5'<i>H</i>)-tetraone ethanol solvate
• Authors of publication: Zhu, Xiao-Tong; Zhang, Ge; Ma, Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1625
• a: 9.2189 ± 0.0015 Å
• b: 12.5924 ± 0.0017 Å
• c: 14.1 ± 0.002 Å
• α: 64.634 ± 0.002°
• β: 81.467 ± 0.003°
• γ: 69.027 ± 0.002°
• Cell volume: 1381 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1526
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes