Information card for entry 7153439

Structure parameters

• Formula: C55 H86 Cl N11
• Calculated formula: C55 H86 Cl N11
• Title of publication: Calix[4]pyrrole-based anion transporters with tuneable transport properties.
• Authors of publication: Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 19
• Pages of publication: 4356 - 4363
• a: 10.5941 ± 0.0002 Å
• b: 15.6673 ± 0.0003 Å
• c: 31.9512 ± 0.0005 Å
• α: 90°
• β: 96.975 ± 0.001°
• γ: 90°
• Cell volume: 5264.04 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.141
• Residual factor for significantly intense reflections: 0.1182
• Weighted residual factors for significantly intense reflections: 0.2964
• Weighted residual factors for all reflections included in the refinement: 0.3195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No