Information card for entry 1573400

Structure parameters

• Chemical name: AOF-PyridineLinker
• Formula: C100 H92 Cl3 N16 O18
• Calculated formula: C100 H93 Cl3 N16 O18
• Title of publication: Design of an abiotic unimolecular three-helix bundle.
• Authors of publication: Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 1136 - 1146
• a: 14.3247 ± 0.0002 Å
• b: 17.1233 ± 0.0002 Å
• c: 23.0646 ± 0.0002 Å
• α: 96.822 ± 0.001°
• β: 98.846 ± 0.001°
• γ: 108.196 ± 0.001°
• Cell volume: 5226.07 ± 0.11 ų
• Cell temperature: 100.01 ± 0.15 K
• Ambient diffraction temperature: 100.01 ± 0.15 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: 0.0854
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2384
• Weighted residual factors for all reflections included in the refinement: 0.2489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No