Information card for entry 2209869

Structure parameters

• Chemical name: (E)-Dimethyl 4-butylamino-5-(4-methylstyryl)furan-2,3-dicarboxylate
• Formula: C21 H25 N O5
• Calculated formula: C21 H25 N O5
• SMILES: N(c1c(c(oc1/C=C/c1ccc(cc1)C)C(=O)OC)C(=O)OC)CCCC
• Title of publication: (<i>E</i>)-Dimethyl 4-butylamino-5-(4-methylstyryl)furan-2,3-dicarboxylate
• Authors of publication: Yi, Zhang; Ma, Cheng
• Journal of publication: Acta Crystallographica, Section E: Structure Reports Online
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3568 - o3569
• a: 5.446 ± 0.003 Å
• b: 10.454 ± 0.007 Å
• c: 18.386 ± 0.012 Å
• α: 77.94 ± 0.03°
• β: 88.97 ± 0.02°
• γ: 78.68 ± 0.02°
• Cell volume: 1003.5 ± 1.1 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: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes