Information card for entry 1574564

Structure parameters

• Formula: C48 H56 Cl3 K N4 O19.6
• Calculated formula: C48 H56 Cl3 K N4 O19.6
• Title of publication: Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety
• Authors of publication: Hirayama, Yuto; Ito, Akitaka; Ochi, Rika
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 3214 - 3218
• a: 15.1444 ± 0.0004 Å
• b: 23.9026 ± 0.0005 Å
• c: 15.8158 ± 0.0006 Å
• α: 90°
• β: 103.663 ± 0.003°
• γ: 90°
• Cell volume: 5563.2 ± 0.3 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No