Information card for entry 8105972

Structure parameters

• Formula: C14 H17 N O3
• Calculated formula: C14 H17 N O3
• Title of publication: Crystal structure of ethyl (Z)-(4-oxo-4-phenylbut-2-en-2-yl)glycinate, C14H17NO3
• Authors of publication: Safavora, A.S.; Brito, Ivan; Cisterna, Jonathan; Cárdenas, Alejandro; Huseynov, E.Z.; Khalilov, A.N.; Naghiyev, F.N.; Askerov, R.K.; Maharramov, A.M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1183 - 1185
• a: 11.1445 ± 0.0007 Å
• b: 8.5442 ± 0.0005 Å
• c: 14.2503 ± 0.0008 Å
• α: 90°
• β: 97.5684 ± 0.0011°
• γ: 90°
• Cell volume: 1345.1 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1358
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No