Information card for entry 4107283

Structure parameters

• Formula: C50.5 H55 B Cl F4 N O2 P3 Pt S
• Calculated formula: C50.5 H55 B Cl F4 N O2 P3 Pt S
• SMILES: [Pt]12([P](CC[P]1(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1CC[C@@]2(N(S(=O)(=O)c3ccc(cc3)C)CC[C@@H]2C1)C.[B](F)(F)(F)[F-].C(Cl)Cl
• 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: 18.7099 ± 0.0012 Å
• b: 25.8448 ± 0.0013 Å
• c: 10.7596 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5202.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No