Information card for entry 1575866

Structure parameters

• Formula: C97.5 H67 N8 O2.75
• Calculated formula: C97.5128 H67.0256 N8 O2.7564
• Title of publication: Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.
• Authors of publication: Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 19967 - 19972
• a: 15.6863 ± 0.0004 Å
• b: 19.4786 ± 0.0005 Å
• c: 21.1524 ± 0.0004 Å
• α: 62.946 ± 0.001°
• β: 78.805 ± 0.002°
• γ: 86.651 ± 0.002°
• Cell volume: 5643 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No