Information card for entry 1575865

Structure parameters

• Formula: C79 H79.8 N11 O9
• Calculated formula: C79 H79.798 N11 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: 31.9415 ± 0.0008 Å
• b: 9.5284 ± 0.0003 Å
• c: 32.2718 ± 0.0009 Å
• α: 90°
• β: 117.757 ± 0.002°
• γ: 90°
• Cell volume: 8691.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1737
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No