Information card for entry 7102981

Structure parameters

• Formula: C85 H110 Cl2 N12 O3
• Calculated formula: C85 H110 Cl2 N12 O3
• Title of publication: Poly(methyl methacrylate)s with pendant calixpyrroles: polymeric extractants for halide anion salts.
• Authors of publication: Aydogan, Abdullah; Coady, Daniel J; Lynch, Vincent M; Akar, Ahmet; Marquez, Manuel; Bielawski, Christopher W; Sessler, Jonathan L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 12
• Pages of publication: 1455 - 1457
• a: 10.2467 ± 0.0003 Å
• b: 15.5098 ± 0.0005 Å
• c: 25.411 ± 0.0007 Å
• α: 76.983 ± 0.003°
• β: 82.586 ± 0.003°
• γ: 81.178 ± 0.003°
• Cell volume: 3869.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.2336
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No