Information card for entry 4120200

Structure parameters

• Formula: C90 H98 Cl2 O8 P2 Pt
• Calculated formula: C90 H98 Cl2 O8 P2 Pt
• SMILES: [Pt](Cl)(Cl)([P]1(OC([C@@H]2OC(O[C@H]2C(O1)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)(C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1ccccc1)[P]1(OC([C@@H]2OC(O[C@H]2C(O1)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)(C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1ccccc1
• Title of publication: Scope and Mechanism of the Pt-Catalyzed Enantioselective Diboration of Monosubstituted Alkenes
• Authors of publication: John R. Coombs; Fredrik Haeffner; Laura T. Kliman; James P. Morken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11222 - 11231
• a: 18.342 ± 0.005 Å
• b: 20.4 ± 0.006 Å
• c: 23.191 ± 0.007 Å
• α: 90°
• β: 113.17 ± 0.004°
• γ: 90°
• Cell volume: 7978 ± 4 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: 0.0607
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No