Information card for entry 4038890

Structure parameters

• Formula: C29 H23 N O2
• Calculated formula: C29 H23 N O2
• SMILES: O=C1OC(=C\c2ccc(cc2)c2ccccc2)/C(N1Cc1ccccc1)c1ccccc1
• 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: 6.1618 ± 0.0005 Å
• b: 8.7522 ± 0.0006 Å
• c: 20.3805 ± 0.0017 Å
• α: 88.042 ± 0.006°
• β: 84.239 ± 0.007°
• γ: 78.625 ± 0.006°
• Cell volume: 1071.96 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1434
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No