Information card for entry 4107094

Structure parameters

• Formula: C36 H27 Cl2 F12 P Pt
• Calculated formula: C36 H27 Cl2 F12 P Pt
• SMILES: Cl[Pt]12(Cl)[P](c3cc(cc(c3)C(F)(F)F)C(F)(F)F)(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccccc3[C]1(C)=[C]2=C(C(C)(C)C)c1ccccc1
• 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: 19.7185 ± 0.0005 Å
• b: 9.8541 ± 0.0002 Å
• c: 19.9184 ± 0.0007 Å
• α: 90°
• β: 91.13 ± 0.001°
• γ: 90°
• Cell volume: 3869.55 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No