Information card for entry 4032868

Structure parameters

• Formula: C19 H17 N O4
• Calculated formula: C19 H17 N O4
• SMILES: c1(cccc(c1)N(=O)=O)C(=O)C[C@H]1c2c([C@H](CC=C)O1)cccc2
• Title of publication: Enantioselective Synthesis of 1,3-Disubstituted 1,3-Dihydroisobenzofurans via a Cascade Allylboration/Oxo-Michael Reaction of o-Formyl Chalcones Catalyzed by a Chiral Phosphoric Acid.
• Authors of publication: Yang, Xing; Pang, Shuai; Cheng, Feng; Zhang, Yue; Lin, Ya-Wei; Yuan, Quan; Zhang, Fang-Lin; Huang, Yi-Yong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 10388 - 10397
• a: 21.23 ± 0.03 Å
• b: 4.782 ± 0.007 Å
• c: 16.45 ± 0.03 Å
• α: 90°
• β: 96.883 ± 0.019°
• γ: 90°
• Cell volume: 1658 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.175
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No