Information card for entry 1576274

Structure parameters

• Formula: C68 H63 N7 O
• Calculated formula: C68 H63 N7 O
• Title of publication: Inherently Chiral Homo-Heteracalixarenes: Design and Synthesis via Enantioselective Intramolecular Sonogashira Cross-coupling Reaction
• Authors of publication: Jiang, Yi-Fan Shuo; Zhang, Yue; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 10.7047 ± 0.0002 Å
• b: 13.5587 ± 0.0002 Å
• c: 20.6357 ± 0.0004 Å
• α: 94.975 ± 0.002°
• β: 91.129 ± 0.002°
• γ: 111.187 ± 0.002°
• Cell volume: 2777.93 ± 0.09 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 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: 0.0677
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No