Information card for entry 7125770

Structure parameters

• Formula: C31 H22 F3 Fe N O
• Calculated formula: C31 H22 F3 Fe N O
• Title of publication: Synthesis of planar chiral ferrocenes via a Pd(0)-catalyzed syn-carbopalladation/asymmetric C-H alkenylation process.
• Authors of publication: Jia, Lixiang; Liu, Xiaobing; Zhang, An-An; Wang, Tao; Hua, Yuanzhao; Li, Heng; Liu, Lantao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1737 - 1740
• a: 10.501 ± 0.002 Å
• b: 12.436 ± 0.003 Å
• c: 19.235 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2511.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No