Information card for entry 4089366

Structure parameters

• Chemical name: Pd(PEt3)2(Br)(aceto-glucopyranose)
• Formula: C26 H49 Br O9 P2 Pd
• Calculated formula: C26 H49 Br O9 P2 Pd
• SMILES: O1[C@@H]([Pd]([P](CC)(CC)CC)([P](CC)(CC)CC)Br)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(=O)C
• Title of publication: Oxidative Addition of Secondary C‒X Bonds to Palladium(0): A Beneficial Anomeric Acceleration
• Authors of publication: Munro-Leighton, Colleen; Adduci, Laura L.; Becker, Jennifer J.; Gagné, Michel R.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2646
• a: 10.4902 ± 0.0002 Å
• b: 28.3899 ± 0.0004 Å
• c: 11.5768 ± 0.0002 Å
• α: 90°
• β: 96.412 ± 0.001°
• γ: 90°
• Cell volume: 3426.19 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for all reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9384
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No