Information card for entry 4069830

Structure parameters

• Formula: C16 H15 Fe O P
• Calculated formula: C16 H15 Fe O P
• Title of publication: Application of Tautomerism of Ferrocenyl Secondary Phosphine Oxides in Suzuki−Miyaura Cross-Coupling Reactions
• Authors of publication: Jung, Lin-Ying; Tsai, Shih-Hung; Hong, Fung-E
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 6044
• a: 5.8491 ± 0.0012 Å
• b: 13.243 ± 0.003 Å
• c: 18.219 ± 0.004 Å
• α: 90°
• β: 90.84 ± 0.004°
• γ: 90°
• Cell volume: 1411.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No