Information card for entry 7123189

Structure parameters

• Formula: C24 H24 O
• Calculated formula: C24 H24 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: 7.4217 ± 0.0015 Å
• b: 11.0439 ± 0.0017 Å
• c: 12.509 ± 0.002 Å
• α: 102.076 ± 0.015°
• β: 98.045 ± 0.016°
• γ: 106.355 ± 0.016°
• Cell volume: 940.2 ± 0.3 ų
• Cell temperature: 295.08 ± 0.1 K
• Ambient diffraction temperature: 295.08 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1686
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No