Information card for entry 2234700

Structure parameters

• Chemical name: (<i>E</i>)-Ethyl 2-cyano-3-(furan-2-yl)acrylate
• Formula: C10 H9 N O3
• Calculated formula: C10 H9 N O3
• SMILES: o1c(ccc1)/C=C(C(=O)OCC)\C#N
• Title of publication: (<i>E</i>)-Ethyl 2-cyano-3-(furan-2-yl)acrylate
• Authors of publication: Kalkhambkar, Rajesh G.; Gayathri, D.; Gupta, Vivek K.; Kant, Rajni; Jeong, Yeon Tae
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1482
• a: 4.6611 ± 0.0002 Å
• b: 19.8907 ± 0.0009 Å
• c: 20.9081 ± 0.0009 Å
• α: 90°
• β: 91.988 ± 0.004°
• γ: 90°
• Cell volume: 1937.28 ± 0.15 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: 0.1288
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes