Information card for entry 7155503

Structure parameters

• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• SMILES: c1ccccc1C(/C=C/C(=O)OC(C)(C)C)Oc1ccc(cn1)C
• Title of publication: Gold/silver-catalyzed controllable regioselective vinylcarbene insertion into O-H bonds.
• Authors of publication: Xu, Guangyang; Liu, Kai; Dai, Zhenya; Sun, Jiangtao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2345 - 2348
• a: 5.6319 ± 0.0014 Å
• b: 11.918 ± 0.003 Å
• c: 14.202 ± 0.004 Å
• α: 80.529 ± 0.006°
• β: 81.438 ± 0.006°
• γ: 78.19 ± 0.006°
• Cell volume: 913.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0898
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No