Information card for entry 7160862

Structure parameters

• Formula: C21 H39 Cl2 Cu N5 O8
• Calculated formula: C21 H39 Cl2 Cu N5 O8
• Title of publication: Self-Assembly of Azamacrocyclic Ligands into Vesicular Structures: From Design to Functional Properties and Applications.
• Authors of publication: Arteaga-Vinza, Mercy Elena; Blasco, Salvador; Clares, Maria Paz; Albelda, M. Teresa; Frias, Juan Carlos; Bernat-Just, Lucía; Ta, Phuong Linh; López-Castellano, Alicia; Sessler, Jonathan L.; García-España, Enrique
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 20.919 ± 0.005 Å
• b: 8.778 ± 0.003 Å
• c: 14.947 ± 0.004 Å
• α: 90°
• β: 97.9 ± 0.009°
• γ: 90°
• Cell volume: 2718.6 ± 1.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No