Information card for entry 4130419

Structure parameters

• Formula: C49 H68 N O5 P Pd S
• Calculated formula: C49 H68 N O5 P Pd S
• SMILES: [Pd]1(c2c(NC(=[O]1)C)cccc2)[P](C12CC3CC(CC(C3)C2)C1)(C12CC3CC(C2)CC(C1)C3)C12CC3CC(C1)CC(C3)C2.S(=O)(=O)([O-])c1ccc(C)cc1.O1CCCC1
• Title of publication: Tri(1-adamantyl)phosphine: Expanding the Boundary of Electron-Releasing Character Available to Organophosphorus Compounds.
• Authors of publication: Chen, Liye; Ren, Peng; Carrow, Brad P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 20
• Pages of publication: 6392 - 6395
• a: 10.7563 ± 0.0008 Å
• b: 11.5192 ± 0.0008 Å
• c: 17.1433 ± 0.0012 Å
• α: 90°
• β: 91.448 ± 0.002°
• γ: 90°
• Cell volume: 2123.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No