Information card for entry 2220788

Structure parameters

• Chemical name: (2<i>Z</i>)-Ethyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-3,5- dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Formula: C27 H28 N2 O7 S
• Calculated formula: C27 H28 N2 O7 S
• SMILES: S1/C(C(=O)N2C1=NC(=C(C2c1ccc(OC)cc1)C(=O)OCC)C)=C\c1cc(OC)c(OC)c(OC)c1
• Title of publication: (2<i>Z</i>)-Ethyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
• Authors of publication: Hou, Zhao-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o235
• a: 10.485 ± 0.002 Å
• b: 10.854 ± 0.002 Å
• c: 11.318 ± 0.002 Å
• α: 83.42 ± 0.03°
• β: 77.65 ± 0.03°
• γ: 89 ± 0.03°
• Cell volume: 1249.9 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes