Information card for entry 4038397

Structure parameters

• Chemical name: guo_1
• Formula: C28 H26 Fe I O5 P
• Calculated formula: C28 H26 Fe I O5 P
• Title of publication: Regio- and Stereoselective Synthesis of Highly Functionalized Tetrasubstituted Olefins by Iodine-Mediated Iodofunctionalization of Ferrocene-Containing Allenylphosphonates.
• Authors of publication: Guo, Le; Gao, Yanpeng; Wang, Zishuo; Li, Zhi; Zhang, Yingjie; Wang, Haidong; Chen, Xihui; Gong, Zhenbo; Chen, Shufeng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.5507 ± 0.0005 Å
• b: 12.2508 ± 0.0008 Å
• c: 14.2643 ± 0.0008 Å
• α: 94.414 ± 0.005°
• β: 106.298 ± 0.005°
• γ: 107.793 ± 0.005°
• Cell volume: 1500.91 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No