Information card for entry 7104466

Structure parameters

• Formula: C42 H63 N7 O2 S2
• Calculated formula: C42 H63 N7 O2 S2
• Title of publication: 1,2,3-triazole-strapped calix[4]pyrrole: a new membrane transporter for chloride.
• Authors of publication: Fisher, Matthew G; Gale, Philip A; Hiscock, Jennifer R; Hursthouse, Michael B; Light, Mark E; Schmidtchen, Franz P; Tong, Christine C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 3017 - 3019
• a: 10.5958 ± 0.0003 Å
• b: 11.3296 ± 0.0003 Å
• c: 17.7452 ± 0.0004 Å
• α: 84.731 ± 0.001°
• β: 89.808 ± 0.001°
• γ: 76.587 ± 0.001°
• Cell volume: 2063.03 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1744
• Residual factor for significantly intense reflections: 0.1338
• Weighted residual factors for significantly intense reflections: 0.3323
• Weighted residual factors for all reflections included in the refinement: 0.3578
• Goodness-of-fit parameter for all reflections included in the refinement: 2.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No