Information card for entry 7120921

Structure parameters

• Formula: C24 H26 I4 N4 O5
• Calculated formula: C24 H26 I4 N4 O5
• Title of publication: Pillar[4]pyridinium. A Square-Shaped Molecular Box
• Authors of publication: Kosiorek, Sandra; Rosa, Bartłomiej; Boinski, Tomasz; Butkiewicz, Helena; Szymański, Marek P.; Danylyuk, Oksana; Szumna, Agnieszka; Sashuk, Volodymyr
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 13.3986 ± 0.0005 Å
• b: 13.3986 ± 0.0005 Å
• c: 8.7112 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1563.86 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No