Information card for entry 7115922

Structure parameters

• Formula: C20 H22 N O5 P
• Calculated formula: C20 H22 N O5 P
• SMILES: P(=O)(OCC)(OCC)C1=C(C2(N(C1=O)C)C=CC(=O)C=C2)c1ccccc1
• Title of publication: Silver-catalyzed carbon-phosphorus functionalization of N-(p-methoxyaryl)propiolamides coupled with dearomatization: access to phosphorylated aza-decenones
• Authors of publication: Li-Jing Wang; An-Qi Wang; Yu Xia; Xin-Xing Wu; Xue-Yuan Liu; Yong-Min Liang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13998
• a: 8.3849 ± 0.0003 Å
• b: 12.0609 ± 0.0004 Å
• c: 19.3266 ± 0.0006 Å
• α: 90°
• β: 95.801 ± 0.003°
• γ: 90°
• Cell volume: 1944.48 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No