Information card for entry 2209388

Structure parameters

• Chemical name: (E)-Dimethyl 4-(ethylamino)-5-styrylfuran-2,3-dicarboxylate
• Formula: C18 H19 N O5
• Calculated formula: C18 H19 N O5
• SMILES: c1(c(c(c(/C=C/c2ccccc2)o1)NCC)C(=O)OC)C(=O)OC
• Title of publication: (<i>E</i>)-Dimethyl 4-(ethylamino)-5-styrylfuran-2,3-dicarboxylate
• Authors of publication: Xu, Fada; Ma, Cheng; Zhang, Yi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2886 - o2887
• a: 7.765 ± 0.004 Å
• b: 9.043 ± 0.004 Å
• c: 13.044 ± 0.011 Å
• α: 70.17 ± 0.03°
• β: 82.36 ± 0.03°
• γ: 75.52 ± 0.03°
• Cell volume: 833.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes