Information card for entry 1575724

Structure parameters

• Formula: C48 H51 Cl O4
• Calculated formula: C48 H51 Cl O4
• Title of publication: Enantioselective gold(I)-catalysed alkyne hydroarylations for inherently chiral calix[4]arenes.
• Authors of publication: Goudarzi, Mehri; Alagiyawanna, Anuruddha; Serafino, Andrea; Rizzato, Silvia; Bertocchi, Francesco; Terenziani, Francesca; Santoro, Stefano; Qin, Wenling; Cera, Gianpiero; Pirovano, Valentina
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 84
• Pages of publication: 16380 - 16383
• a: 15.6274 ± 0.0004 Å
• b: 11.9127 ± 0.0002 Å
• c: 22.8375 ± 0.0006 Å
• α: 90°
• β: 108.83 ± 0.003°
• γ: 90°
• Cell volume: 4023.99 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.2 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No