Information card for entry 7157035

Structure parameters

• Formula: C31 H27 O3 P
• Calculated formula: C31 H27 O3 P
• Title of publication: Regioselective radical arylation: silver-mediated synthesis of 3-phosphorylated coumarins, quinolin-2(1H)-one and benzophosphole oxides.
• Authors of publication: Hou, Hong; Xu, Yue; Yang, Haibo; Yan, Chaoguo; Shi, Yaocheng; Zhu, Shaoqun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 35
• Pages of publication: 8175 - 8184
• a: 17.0617 ± 0.0008 Å
• b: 13.611 ± 0.0006 Å
• c: 11.3034 ± 0.0006 Å
• α: 90°
• β: 106.03 ± 0.002°
• γ: 90°
• Cell volume: 2522.9 ± 0.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0516
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No