Information card for entry 1516608

Structure parameters

• Formula: C19 H19 O5 P
• Calculated formula: C19 H19 O5 P
• SMILES: P(=O)(OCC)(OCC)c1c(c2ccccc2oc1=O)c1ccccc1
• Title of publication: Silver-Catalyzed Synthesis of 3-Phosphorated Coumarins via Radical Cyclization of Alkynoates and Dialkyl H-Phosphonates.
• Authors of publication: Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Zhang, Jianye; Wu, Yusheng; Wu, Yangjie
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 3356 - 3359
• a: 10.365 ± 0.004 Å
• b: 11.372 ± 0.0012 Å
• c: 15.121 ± 0.002 Å
• α: 90°
• β: 96.49 ± 0.02°
• γ: 90°
• Cell volume: 1770.9 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 4
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No