Information card for entry 1576273

Structure parameters

• Formula: C40 H43 N7 O
• Calculated formula: C40 H43 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: 9.467 ± 0.0001 Å
• b: 10.4107 ± 0.0001 Å
• c: 35.2094 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3470.17 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No