Information card for entry 2225245

Structure parameters

• Chemical name: (<i>Z</i>)-Ethyl 3-(2,6-diisopropylanilino)but-2-enoate
• Formula: C18 H27 N O2
• Calculated formula: C18 H27 N O2
• SMILES: O=C(OCC)/C=C(\Nc1c(cccc1C(C)C)C(C)C)C
• Title of publication: (<i>Z</i>)-Ethyl 3-(2,6-diisopropylanilino)but-2-enoate
• Authors of publication: Amézquita-Valencia, Manuel; Hernández-Ortega, Simón; Suárez-Ortiz, G. Alejandra; Cabrera, Armando
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o500
• a: 8.475 ± 0.0017 Å
• b: 8.8995 ± 0.0018 Å
• c: 11.956 ± 0.002 Å
• α: 94.901 ± 0.003°
• β: 91.801 ± 0.003°
• γ: 101.255 ± 0.004°
• Cell volume: 880.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction 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 all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes