Information card for entry 4120223

Structure parameters

• Formula: C34 H35 Cs O5 Pd
• Calculated formula: C34 H19 Cs O5 Pd
• Title of publication: Palladium(II)-Catalyzed Direct Carboxylation of Alkenyl C-H Bonds with CO2
• Authors of publication: Kota Sasano; Jun Takaya; Nobuharu Iwasawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10954 - 10957
• a: 9.403 ± 0.004 Å
• b: 12.127 ± 0.005 Å
• c: 14.748 ± 0.005 Å
• α: 109.83 ± 0.005°
• β: 94.785 ± 0.006°
• γ: 100.526 ± 0.002°
• Cell volume: 1536 ± 1.1 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 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: 0.1055
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2317
• Weighted residual factors for all reflections included in the refinement: 0.287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No