Information card for entry 7123191

Structure parameters

• Formula: C24 H18 O
• Calculated formula: C24 H18 O
• Title of publication: Ligand-Controlled Regiodivergent π-Allyl Palladium Catalysis Enables a Switch between [3+2] and [3+3] Cycloadditions
• Authors of publication: Xia, Yu; Bao, Qiao-Fei; Li, Yuke; Wang, Lijing; Zhang, Bo-Sheng; Liu, Hong-Chao; Liang, Yong-Min
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 20.5655 ± 0.001 Å
• b: 6.087 ± 0.0003 Å
• c: 27.2088 ± 0.0014 Å
• α: 90°
• β: 98.487 ± 0.005°
• γ: 90°
• Cell volume: 3368.8 ± 0.3 ų
• Cell temperature: 293.36 ± 0.1 K
• Ambient diffraction temperature: 293.36 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No