Information card for entry 4107092

Structure parameters

• Formula: C67 H63 F24 O2 P2 Rh
• Calculated formula: C67 H63 F24 O2 P2 Rh
• SMILES: [Rh]1234([P](c5c(cccc5)C(=[C]3=[C]4(C)c3c([P]1(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)cccc3)C(C)(C)C)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]2)C)C.CCCCC.CCCCC
• Title of publication: Chiral Allene-Containing Phosphines in Asymmetric Catalysis
• Authors of publication: Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 18066 - 18069
• a: 14.586 ± 0.002 Å
• b: 14.058 ± 0.002 Å
• c: 16.988 ± 0.002 Å
• α: 90°
• β: 102.1 ± 0.04°
• γ: 90°
• Cell volume: 3406 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No