Information card for entry 4130418

Structure parameters

• Common name: LC3
• Formula: C31 H47 Au Cl3 P
• Calculated formula: C31 H47 Au Cl3 P
• SMILES: [Au](Cl)[P](C12CC3CC(C1)CC(C2)C3)(C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3.ClCCl
• 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: 8.0463 ± 0.0004 Å
• b: 16.1268 ± 0.0007 Å
• c: 22.1134 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2869.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No