Information card for entry 4107282

Structure parameters

• Formula: C40 H50 B F4 O P3 Pt
• Calculated formula: C40 H50 B F4 O P3 Pt
• SMILES: [Pt]12([P](c3ccccc3)(c3ccccc3)CC[P]1(CC)CC[P]2(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2[C@](CC1)(C)OCC2C.[B](F)(F)(F)[F-].[Pt]12([P](c3ccccc3)(c3ccccc3)CC[P]1(CC)CC[P]2(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H]2[C@@](CC1)(C)OCC2C.[B](F)(F)(F)[F-]
• Title of publication: Reversibility Effects on the Stereoselectivity of Pt(II)-Mediated Cascade Poly-ene Cyclizations
• Authors of publication: Jeremiah A. Feducia; Michel R. Gagné
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 592 - 599
• a: 10.7092 ± 0.0009 Å
• b: 11.3859 ± 0.0009 Å
• c: 18.7092 ± 0.0015 Å
• α: 95.66 ± 0.004°
• β: 103.796 ± 0.004°
• γ: 106.241 ± 0.004°
• Cell volume: 2093.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No