Information card for entry 4033094

Structure parameters

• Formula: C20 H20 N2 O5
• Calculated formula: C20 H20 N2 O5
• SMILES: C1(=O)C(C)(C)OC2(C(=O)c3cc(ccc3N2)OC)N1OCc1ccccc1
• Title of publication: Synthetic Access to Oxazolidin-4-ones via Elimination/[3+2] Cycloaddition Reaction.
• Authors of publication: Jiang, Shengsheng; Li, Kai; Yan, Jun; Shi, Kuangxi; Zhao, Chengtao; Yang, Limin; Zhong, Guofu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 18
• Pages of publication: 9779 - 9785
• a: 10.2211 ± 0.0007 Å
• b: 18.2509 ± 0.0011 Å
• c: 10.5603 ± 0.0006 Å
• α: 90°
• β: 107.925 ± 0.002°
• γ: 90°
• Cell volume: 1874.3 ± 0.2 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: 0.1112
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No