Information card for entry 4035587

Structure parameters

• Formula: C22 H23 N O3
• Calculated formula: C22 H23 N O3
• SMILES: O([C@H]1OC2=C([C@H](c3ccccc3)C1)CN(C2=O)Cc1ccccc1)CC
• Title of publication: Catalytic Asymmetric Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Dioxopyrrolidines with Hetero-Substituted Alkenes.
• Authors of publication: Hu, Xinyue; Zhou, Yuhang; Lu, Yan; Zou, Sijia; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 15
• Pages of publication: 8679 - 8687
• a: 7.4368 ± 0.0002 Å
• b: 13.4944 ± 0.0004 Å
• c: 18.75 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1881.66 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No