Information card for entry 2220793

Structure parameters

• Chemical name: (<i>Z</i>)-Ethyl 2,4-diphenyl-3-(propylamino)but-2-enoate
• Formula: C21 H25 N O2
• Calculated formula: C21 H25 N O2
• SMILES: CCCNC(=C(/c1ccccc1)C(=O)OCC)/Cc1ccccc1
• Title of publication: (<i>Z</i>)-Ethyl 2,4-diphenyl-3-(propylamino)but-2-enoate
• Authors of publication: Jin, Huimin; Li, Peifan; Liu, Bin; Cheng, Xiaoqing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o236
• a: 12.186 ± 0.002 Å
• b: 8.4771 ± 0.0017 Å
• c: 19.08 ± 0.004 Å
• α: 90°
• β: 106.33 ± 0.03°
• γ: 90°
• Cell volume: 1891.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0808
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes