Information card for entry 4118864

Structure parameters

• Formula: C32 H71 N4 O4 P
• Calculated formula: C32 H71 N4 O4 P
• SMILES: [P+](N(C)C1CCCCC1)(N(C)C1CCCCC1)(N(C)C1CCCCC1)N(C)C1CCCCC1.[O-]C.OC.OC.OC
• Title of publication: Phosphonium-Functionalized Polyethylene: A New Class of Base-Stable Alkaline Anion Exchange Membranes
• Authors of publication: Kevin J. T. Noonan; Kristina M. Hugar; Henry A. Kostalik; Emil B. Lobkovsky; Héctor D. Abruña; Geoffrey W. Coates
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18161 - 18164
• a: 11.967 ± 0.002 Å
• b: 14.415 ± 0.002 Å
• c: 22.293 ± 0.004 Å
• α: 90°
• β: 92.789 ± 0.007°
• γ: 90°
• Cell volume: 3841.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No