Information card for entry 1573401

Structure parameters

• Chemical name: AOF-isoQuinolineLinker
• Formula: C104.52 H93.44 Cl2 N19 O17.94
• Calculated formula: C104.576 H93.568 Cl2 N19 O17.952
• 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: 13.1606 ± 0.0001 Å
• b: 17.3713 ± 0.0002 Å
• c: 24.34 ± 0.0002 Å
• α: 95.661 ± 0.001°
• β: 93.989 ± 0.001°
• γ: 105.354 ± 0.001°
• Cell volume: 5313.14 ± 0.09 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0864
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2309
• Weighted residual factors for all reflections included in the refinement: 0.2368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No