Information card for entry 1568265

Structure parameters

• Formula: C29 H33 N O2
• Calculated formula: C29 H33 N O2
• 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: 8.0904 ± 0.0003 Å
• b: 12.0393 ± 0.0003 Å
• c: 12.8065 ± 0.0003 Å
• α: 79.36 ± 0.002°
• β: 75.595 ± 0.002°
• γ: 79.481 ± 0.002°
• Cell volume: 1175.11 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No