Information card for entry 7128122

Structure parameters

• Formula: C24 H19 N O2
• Calculated formula: C24 H19 N O2
• SMILES: O1[C@@H](c2c(noc2c2ccccc2)c2ccccc2)[C@@H](c2c1cccc2)C.O1[C@H](c2c(noc2c2ccccc2)c2ccccc2)[C@H](c2c1cccc2)C
• Title of publication: Synthesis of 2-isoxazolyl-2,3-dihydrobenzofurans <i>via</i> palladium-catalyzed cascade cyclization of alkenyl ethers.
• Authors of publication: Zhou, Fei; Li, Can; Li, Meng; Jin, Yangbin; Jiang, Huanfeng; Zhang, Yingjun; Wu, Wanqing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 39
• Pages of publication: 4799 - 4802
• a: 5.8481 ± 0.0005 Å
• b: 20.1032 ± 0.0017 Å
• c: 15.8952 ± 0.0016 Å
• α: 90°
• β: 99.844 ± 0.003°
• γ: 90°
• Cell volume: 1841.2 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.16
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No