Information card for entry 1568263

Structure parameters

• Formula: C23 H22 O3
• Calculated formula: C23 H22 O3
• Title of publication: Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.
• Authors of publication: Zhao, Hongping; Yuan, Weiming
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1485 - 1490
• a: 10.6143 ± 0.0003 Å
• b: 31.7341 ± 0.0006 Å
• c: 5.4746 ± 0.0001 Å
• α: 90°
• β: 96.25 ± 0.002°
• γ: 90°
• Cell volume: 1833.08 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No