Information card for entry 1576276

Structure parameters

• Formula: C52 H53 N7 O
• Calculated formula: C52 H53 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: 7.96977 ± 0.00005 Å
• b: 21.66155 ± 0.00014 Å
• c: 25.66659 ± 0.00015 Å
• α: 90°
• β: 90.1044 ± 0.0006°
• γ: 90°
• Cell volume: 4431.01 ± 0.05 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.0432
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No