Information card for entry 7119703

Structure parameters

• Formula: C19 H21 N O3
• Calculated formula: C19 H21 N O3
• SMILES: c1(ccccn1)O[C@@H](/C=C/c1ccccc1)C(=O)OC(C)(C)C
• Title of publication: Gold-catalyzed highly regio- and enantioselective vinylcarbene insertion into O-H bonds of 2-pyridones.
• Authors of publication: Huang, Daorui; Xu, Guangyang; Peng, Shiyong; Sun, Jiangtao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 3197 - 3200
• a: 5.9975 ± 0.0011 Å
• b: 15.485 ± 0.003 Å
• c: 18.46 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1714.4 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No