Information card for entry 1574638

Structure parameters

• Formula: C13 H16 O2
• Calculated formula: C13 H16 O2
• Title of publication: Copper-catalyzed asymmetric carbonylative hydroallylation of vinylarenes
• Authors of publication: Shao, Sufang; Yuan, Yang; Schmoll, Alban; Wu, Xiao-Feng
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 10951 - 10956
• a: 8.9792 ± 0.001 Å
• b: 6.2593 ± 0.0006 Å
• c: 11.4802 ± 0.0013 Å
• α: 90°
• β: 111.827 ± 0.013°
• γ: 90°
• Cell volume: 598.97 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.059
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No