Information card for entry 4038889

Structure parameters

• Formula: C24 H21 N O3
• Calculated formula: C24 H21 N O3
• SMILES: O1C(=O)N([C@@H](C\1=C\c1ccccc1)c1ccc(OC)cc1)Cc1ccccc1
• Title of publication: One-Pot CuI/DBU-Catalyzed Carboxylative Cyclization toward Oxazolidinones Using Recyclable Molecular Sieves as Efficient Promoters for Fixation of CO2 in Water Medium
• Authors of publication: Liu, Yu-Te; Cheng, Chi-Wei; Lu, Huan-Chang; Chang, Ting-Yu; Chen, Chun-Ying; Yang, Hao-Chun; Yu, Shih-Hsien; Zehra, Syeda; Liu, Shu-Hui; Leung, Man-Kit; Lee, Kwang-Ming; Chen, Hsiu-Hui
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 13.4355 ± 0.0004 Å
• b: 14.6914 ± 0.0004 Å
• c: 19.5353 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3856 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No