Information card for entry 7132131

Structure parameters

• Formula: C53 H67 N3 Pd
• Calculated formula: C53 H67 N3 Pd
• Title of publication: Swift C–C Bond Insertion by a 12-Electron Palladium(0) Surrogate
• Authors of publication: Breitwieser, Kevin; Dankert, Fabian; Gruenwald, Annette; Mayer, Paula R.; Heinemann, Frank; Munz, Dominik
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 21.1187 ± 0.0008 Å
• b: 13.1872 ± 0.0006 Å
• c: 32.3582 ± 0.0013 Å
• α: 90°
• β: 103.994 ± 0.002°
• γ: 90°
• Cell volume: 8744.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.474
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No