Information card for entry 7133949

Structure parameters

• Formula: C115.5 H99.5 I4 N10
• Calculated formula: C115.5 H99.5 I4 N10
• Title of publication: Helical aromatic foldamers with tubular cavities capable of accommodating multiple halide ions
• Authors of publication: Lee, Seungwon; Lee, Byeung Ju; Song, Geunmoo; Jeong, Kyu-Sung
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 22.459 ± 0.005 Å
• b: 30.925 ± 0.006 Å
• c: 33.796 ± 0.007 Å
• α: 100.82 ± 0.03°
• β: 101.36 ± 0.03°
• γ: 91.89 ± 0.03°
• Cell volume: 22544 ± 9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2965
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.69
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No