Information card for entry 2201896

Structure parameters

• Chemical name: Ethyl 2-phenyl-3-pyridinylacrylate
• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• SMILES: O(C(=O)C(=C\c1ncccc1)/c1ccccc1)CC
• Title of publication: Ethyl 2-phenyl-3-(pyridin-2-yl)acrylate
• Authors of publication: Yun Li; Anwar Usman; Hoong-Kun Fun; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o610 - o611
• a: 11.0203 ± 0.0007 Å
• b: 8.0642 ± 0.0005 Å
• c: 31.1269 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2766.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes