Information card for entry 7105943

Structure parameters

• Formula: C23 H27 F3 Fe P2
• Calculated formula: C23 H27 F3 Fe P2
• SMILES: [Fe]12345678([c]9%10[cH]4[cH]3[cH]2[c]19P(P([C@@H]%10C)C12CC3CC(C1)CC(C2)C3)C(F)(F)F)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Chiral trifluoromethylphosphines: a new stereoselective synthesis of Josiphos-type ligands containing two stereogenic phosphorus atoms
• Authors of publication: Jonas Buergler; Antonio Togni
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1896
• a: 10.743 ± 0.003 Å
• b: 8.26 ± 0.003 Å
• c: 13.016 ± 0.004 Å
• α: 90°
• β: 112.417 ± 0.006°
• γ: 90°
• Cell volume: 1067.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No