Information card for entry 1575867

Structure parameters

• Formula: C69 H68 N8 O9
• Calculated formula: C69 H68 N8 O9
• 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: 14.7923 ± 0.0004 Å
• b: 22.1907 ± 0.0006 Å
• c: 20.6091 ± 0.0005 Å
• α: 90°
• β: 95.371 ± 0.002°
• γ: 90°
• Cell volume: 6735.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No