Information card for entry 4072883

Structure parameters

• Formula: C49 H65.5 O3 P4 Pt2
• Calculated formula: C49 H65.5 O3 P4 Pt2
• SMILES: [Pt]1([P]2([C@H](C)CC[C@H]2C)c2ccccc2[P]21[C@H](C)CC[C@H]2C)(OC(=O)O[Pt]1([P]2(c3c([P]41[C@H](C)CC[C@H]4C)cccc3)[C@H](C)CC[C@H]2C)c1ccccc1)c1ccccc1
• Title of publication: Platinum-Catalyzed Asymmetric Alkylation of a Secondary Phosphine: Mechanism and Origin of Enantioselectivity
• Authors of publication: Scriban, Corina; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1788
• a: 15.92 ± 0.002 Å
• b: 16.545 ± 0.003 Å
• c: 40.382 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10636 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No