Information card for entry 2207874

Structure parameters

• Chemical name: 5-Methyl-2-(2-nitrophenyloxy)-3-p-tolyl-8,9,10,11- tetrahydrobenzo[4',5']thieno[3',4':5,6]pyrido[4,3-d]pyrimidin-4(3H)-one
• Formula: C27 H22 N4 O4 S
• Calculated formula: C27 H22 N4 O4 S
• Title of publication: 5-Methyl-2-(2-nitrophenyloxy)-3-<i>p</i>-tolyl-8,9,10,11-tetrahydrobenzo[4',5']thieno[3',4':5,6]pyrido[4,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one
• Authors of publication: Chen, He-Lian; He, Hong-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o195 - o197
• a: 9.1381 ± 0.0008 Å
• b: 17.0819 ± 0.0014 Å
• c: 16.0332 ± 0.0014 Å
• α: 90°
• β: 106.203 ± 0.002°
• γ: 90°
• Cell volume: 2403.3 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes