Information card for entry 4101926

Structure parameters

• Formula: C20 H23 Fe O P
• Calculated formula: C20 H23 Fe O P
• SMILES: [Fe]123456789P%10[C]4(=[C]43[C]2(=[C]1%10CC(=CC[c]15[cH]9[cH]8[cH]7[cH]61)C)COC4)CC(=C)C
• Title of publication: Enantioselective Synthesis of Planar-Chiral Phosphaferrocenes by Molybdenum-Catalyzed Asymmetric Interannular Ring-Closing Metathesis
• Authors of publication: Masamichi Ogasawara; Susumu Watanabe; Kiyohiko Nakajima; Tamotsu Takahashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 2136 - 2137
• a: 7.4212 ± 0.0002 Å
• b: 9.9724 ± 0.0003 Å
• c: 23.8171 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1762.64 ± 0.08 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No