Information card for entry 2214767

Structure parameters

• Chemical name: Ethyl 8-amino-2-(o-tolyloxy)-4-oxo-3-phenyl-3,4-dihydro- thieno[2',3':2,3]thieno[4,5-d]pyrimidine-6-carboxylate
• Formula: C24 H19 N3 O4 S2
• Calculated formula: C24 H19 N3 O4 S2
• SMILES: c1ccccc1n1c(=O)c2c(c3c(sc(c3N)C(=O)OCC)s2)nc1Oc1ccccc1C
• Title of publication: Ethyl 8-amino-2-(<i>o</i>-tolyloxy)-4-oxo-3-phenyl-3,4-dihydrothieno[2',3':2,3]thieno[4,5-<i>d</i>]pyrimidine-6-carboxylate
• Authors of publication: Ming-Guo Liu; Zuan Ma; Ting Xie; Zhen-Zhen Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3664 - o3664
• a: 7.0996 ± 0.0006 Å
• b: 10.444 ± 0.009 Å
• c: 16.9985 ± 0.0013 Å
• α: 104.447 ± 0.001°
• β: 97.12 ± 0.001°
• γ: 106.041 ± 0.001°
• Cell volume: 1147.6 ± 1 ų
• Cell temperature: 292 ± 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: 0.1003
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes