Information card for entry 7157034

Structure parameters

• Formula: C31 H28 N O2 P
• Calculated formula: C31 H28 N O2 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: 10.4035 ± 0.0016 Å
• b: 10.59 ± 0.0016 Å
• c: 13.0053 ± 0.0019 Å
• α: 89.785 ± 0.005°
• β: 77.673 ± 0.005°
• γ: 69.24 ± 0.004°
• Cell volume: 1304.9 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1853
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0676
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No