Information card for entry 7158817

Structure parameters

• Formula: C H O
• Calculated formula: C1.67442 H1.48837 O0.372093
• Title of publication: Synthesis of trans-Stilbenes via Phosphine-Catalyzed Coupling Reaction of Benzylic Halides
• Authors of publication: Zhang, Sheng; Xie, Zhilong; Ye, Zhanqiang; Zhang, Mingyang; Li, Dongdeng; Yamaguchi, Masahiko; Bao, Ming
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 6.0447 ± 0.0017 Å
• b: 7.273 ± 0.002 Å
• c: 33.48 ± 0.01 Å
• α: 90°
• β: 90.036 ± 0.012°
• γ: 90°
• Cell volume: 1471.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 295.9 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: 0.1814
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.2054
• 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