Information card for entry 1555079

Structure parameters

• Formula: C16 H13 N O3
• Calculated formula: C16 H13 N O3
• SMILES: c1cc(ccc1)C1C(=O)N(C(=O)O1)Cc1ccccc1
• Title of publication: Selectfluor™-catalyzed oxidative cyclization of ynamides enables facile synthesis of oxazolidine-2,4-diones
• Authors of publication: He, Guangke; Li, Yuan; Yu, Zilun; Chen, Zhaoqiang; Tang, Yongming; Song, Guangliang; Loh, Teck-Peng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 21
• Pages of publication: 3644
• a: 14.099 ± 0.002 Å
• b: 5.2916 ± 0.0009 Å
• c: 9.1495 ± 0.0016 Å
• α: 90°
• β: 101.496 ± 0.007°
• γ: 90°
• Cell volume: 668.92 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No