Information card for entry 7127433

Structure parameters

• Formula: C92 H118 Cl4 O15 P4
• Calculated formula: C92 H118 Cl4 O15 P4
• Title of publication: Palladium-catalyzed C-P cross-coupling of allenic alcohols with <i>H</i>-phosphonates leading to 2-phosphinoyl-1,3-butadienes.
• Authors of publication: Hu, Shanshan; Sun, Wenyu; Chen, Junhong; Li, Sipei; Zhao, Runmin; Xu, Pengxiang; Gao, Yuxing; Zhao, Yufen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 339 - 342
• a: 9.6365 ± 0.0003 Å
• b: 11.875 ± 0.0005 Å
• c: 21.5769 ± 0.0006 Å
• α: 99.134 ± 0.003°
• β: 92.375 ± 0.002°
• γ: 111.125 ± 0.003°
• Cell volume: 2260.9 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0536
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No