Information card for entry 1571172

Structure parameters

• Formula: C38 H27 O2 P
• Calculated formula: C38 H27 O2 P
• Title of publication: Pd-catalyzed divergent regioselective annulation of phosphinyl allenes accessing polyarylfurans and 2<i>H</i>-chromenes.
• Authors of publication: Li, Yang; Yan, Xiao-Long; Hu, Li-Yan; Luo, Kai; Zhu, Jie; Wu, Lei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 28
• Pages of publication: 3814 - 3817
• a: 10.0902 ± 0.001 Å
• b: 20.276 ± 0.002 Å
• c: 14.0678 ± 0.0015 Å
• α: 90°
• β: 104.978 ± 0.003°
• γ: 90°
• Cell volume: 2780.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.077
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No