Information card for entry 1568264

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: 9.5665 ± 0.0003 Å
• b: 10.3386 ± 0.0002 Å
• c: 12.4055 ± 0.0003 Å
• α: 93.312 ± 0.002°
• β: 101.472 ± 0.002°
• γ: 98.72 ± 0.002°
• Cell volume: 1183.64 ± 0.05 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: 0.0375
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No