Information card for entry 1576775

Structure parameters

• Formula: C70 H66 Cl3 O6 P
• Calculated formula: C70 H66 Cl3 O6 P
• Title of publication: Enantioselective Synthesis of Calix[4]arenes with C–C Axial and Inherent Chirality via Palladium/Chiral Norbornene Cooperative Catalysis
• Authors of publication: You, Yiming; Cheng, Hongwei; Huang, Xiao; Wang, Peng; Cong, Hengjiang; Cheng, Hong-Gang; Zhou, Qianghui
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.6469 ± 0.0004 Å
• b: 20.7272 ± 0.0006 Å
• c: 13.9592 ± 0.0004 Å
• α: 90°
• β: 111.001 ± 0.003°
• γ: 90°
• Cell volume: 3146.01 ± 0.18 ų
• Cell temperature: 298.6 ± 0.6 K
• Ambient diffraction temperature: 298.6 ± 0.6 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.2604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No