Information card for entry 4105004

Structure parameters

• Formula: C13 H24 Cl2 I N
• Calculated formula: C13 H24 Cl2 I N
• SMILES: [I-].ClCCl.[N+](C[C@@]1(C[C@H]2C=C[C@@H]1C2)C)(C)(C)C.[I-].ClCCl.[N+](C[C@]1(C[C@@H]2C=C[C@H]1C2)C)(C)(C)C
• Title of publication: A Ring-Opening Metathesis Polymerization Route to Alkaline Anion Exchange Membranes: Development of Hydroxide-Conducting Thin Films from an Ammonium-Functionalized Monomer
• Authors of publication: Timothy J. Clark; Nicholas J. Robertson; Henry A. Kostalik IV; Emil B. Lobkovsky; Paul F. Mutolo; Héctor D. Abruña; Geoffrey W. Coates
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12888 - 12889
• a: 11.1922 ± 0.0006 Å
• b: 7.8529 ± 0.0004 Å
• c: 19.6551 ± 0.001 Å
• α: 90°
• β: 103.138 ± 0.003°
• γ: 90°
• Cell volume: 1682.29 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No