Information card for entry 7239169

Structure parameters

• Formula: C17 H17 N O5
• Calculated formula: C17 H17 N O5
• SMILES: n1(cc(c(cc1=O)C(=O)OC)C(=O)OCC)Cc1ccccc1
• Title of publication: Synthesis of functionalized 2-pyridones via Michael addition and cyclization reaction of amines, alkynes and dialkyl acetylene dicarboxylates
• Authors of publication: Chong, Qinglei; Xin, Xiaoyi; Wang, Chunxiang; Wu, Fan; Wan, Boshun
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 44
• Pages of publication: 21222
• a: 7.9151 ± 0.0013 Å
• b: 10.1402 ± 0.0017 Å
• c: 10.6377 ± 0.0017 Å
• α: 71.748 ± 0.01°
• β: 82.952 ± 0.009°
• γ: 75.932 ± 0.01°
• Cell volume: 785.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No