Information card for entry 1576412

Structure parameters

• Formula: C26 H18 N4 O2
• Calculated formula: C26 H18 N4 O2
• Title of publication: Conformational Adaptability Enabled Higher-Order Self-Sorting Processes in Coordination Cages
• Authors of publication: Parbin, Minaz; Sivalingam, Vellaiyadevan; Venkatachalam, Ramkumar; Chand, Dillip Kumar
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 18.9883 ± 0.0017 Å
• b: 4.9718 ± 0.0004 Å
• c: 10.9031 ± 0.001 Å
• α: 90°
• β: 103.906 ± 0.004°
• γ: 90°
• Cell volume: 999.15 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0545
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No