Information card for entry 7115843

Structure parameters

• Formula: C176 H240 Cl2 N34 O8
• Calculated formula: C176 H240 Cl2 N34 O8
• Title of publication: Quantifying chloride binding and salt extraction with poly(methyl methacrylate) copolymers bearing aryl-triazoles as anion receptor side chains
• Authors of publication: Kevin P. McDonald; Bo Qiao; Eric B. Twum; Semin Lee; Patrick J. Gamache; Chun-Hsing Chen; Yi Yi; Amar H. Flood
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13285
• a: 20.868 ± 0.004 Å
• b: 22.184 ± 0.004 Å
• c: 22.207 ± 0.005 Å
• α: 79.546 ± 0.003°
• β: 81.047 ± 0.004°
• γ: 77.042 ± 0.003°
• Cell volume: 9781 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1685
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections: 0.2423
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No