Information card for entry 7108135

Structure parameters

• Formula: C55 H68 N4 O5
• Calculated formula: C55 H68 N4 O5
• Title of publication: Calix[4]pyrroles bearing proximally meso-meso linking straps: synthesis and anion binding properties
• Authors of publication: Ja-Young Park; Kamil Skonieczny; Naoki Aratani; Atsuhiro Osuka; Daniel T. Gryko; Chang-Hee Lee
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8060
• a: 34.4374 ± 0.0008 Å
• b: 10.2869 ± 0.0002 Å
• c: 13.5539 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4801.52 ± 0.18 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No