Information card for entry 7111148

Structure parameters

• Chemical name: 1,1,3,3,5,5- meso- hexaphenyl- 2,2,4,4,6,6- meso- hexamethyl- calix[6]pyrrole
• Formula: C90.5 H81.5 N9 O6
• Calculated formula: C90.5 H81.5 N9 O6
• Title of publication: Selective anion binding and solid-state host–guest chemistry of an extended cavity calix[6]pyrrole
• Authors of publication: Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Eichen, Yoav; Suwinska, Kinga
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 13
• a: 19.455 ± 0.0005 Å
• b: 19.762 ± 0.0008 Å
• c: 22.027 ± 0.0008 Å
• α: 90°
• β: 115.405 ± 0.002°
• γ: 90°
• Cell volume: 7649.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No