Information card for entry 7104776

Structure parameters

• Formula: C57 H44 B Cl2 F4 Fe2 Rh
• Calculated formula: C57 H44 B Cl2 F4 Fe2 Rh
• SMILES: [Rh]12345678([C]9(=[CH]1[C@@H]1[C]2(=[CH]3[C@H]9c2c1c(F)c(F)c(F)c2F)[c]12[Fe]39%10%11%12%13%14([cH]1[cH]3[cH]9[cH]2%10)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)[c]12[cH]3[Fe]9%10%11%12%13%141([cH]2[cH]9[cH]3%10)[cH]1[cH]%14[cH]%13[cH]%12[cH]%111)[c]1([cH]4[cH]5[cH]6[cH]7[cH]81)[B](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: The concise synthesis of chiral tfb ligands and their application to the rhodium-catalyzed asymmetric arylation of aldehydes.
• Authors of publication: Nishimura, Takahiro; Kumamoto, Hana; Nagaosa, Makoto; Hayashi, Tamio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 38
• Pages of publication: 5713 - 5715
• a: 11.067 ± 0.004 Å
• b: 9.614 ± 0.002 Å
• c: 22.413 ± 0.006 Å
• α: 90°
• β: 104.655 ± 0.012°
• γ: 90°
• Cell volume: 2307.2 ± 1.1 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoK(Jα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No