Information card for entry 4033962

Structure parameters

• Formula: C56 H71 O3 P
• Calculated formula: C56 H71 O3 P
• Title of publication: Unexpected Formation of Hexasubstituted Arenes through a 2-fold Palladium-Mediated Ligand Arylation.
• Authors of publication: Wagen, Corin C.; Ingoglia, Bryan T.; Buchwald, Stephen L.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 19
• Pages of publication: 12672 - 12679
• a: 12.5922 ± 0.0009 Å
• b: 28.656 ± 0.002 Å
• c: 13.3383 ± 0.001 Å
• α: 90°
• β: 100.726 ± 0.002°
• γ: 90°
• Cell volume: 4728.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0561
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No