Information card for entry 7130105

Structure parameters

• Formula: C20 H22 O2
• Calculated formula: C20 H22 O2
• Title of publication: Enantioselective transannular reactions by palladium-catalysed conjugate addition of aryl boronic acids
• Authors of publication: Prieto, Liher; Rodríguez, Verónica; Vicario, Jose L.; Reyes, Efraim; Hornillos, Valentín
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.0597 ± 0.0002 Å
• b: 9.4699 ± 0.0002 Å
• c: 11.8919 ± 0.0003 Å
• α: 90°
• β: 100.096 ± 0.003°
• γ: 90°
• Cell volume: 782.72 ± 0.03 ų
• Cell temperature: 150.3 ± 0.3 K
• Ambient diffraction temperature: 150.3 ± 0.3 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No