Information card for entry 4321165

Structure parameters

• Common name: 3b
• Formula: C55 H58 B2 F8 O P4 Pt
• Calculated formula: C55 H58 B2 F8 O P4 Pt
• SMILES: [Pt]12([P@@]3([C@@H]4[C@H]([P]1(c1ccccc1)c1ccccc1)C[C@H]3C(=C4C)C)c1ccccc1)[P@@]1([C@@H]3[C@H]([P]2(c2ccccc2)c2ccccc2)C[C@H]1C(=C3C)C)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].CC(=O)C.[Pt]12([P@]3([C@H]4[C@@H]([P]1(c1ccccc1)c1ccccc1)C[C@@H]3C(=C4C)C)c1ccccc1)[P@]1([C@H]3[C@@H]([P]2(c2ccccc2)c2ccccc2)C[C@@H]1C(=C3C)C)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].CC(=O)C
• Title of publication: Cooperative Diastereoselectivity of Palladium- and Platinum-Promoted Intramolecular [4+2] Diels-Alder Cycloaddition Reactions of 3,4-Dimethyl-1-phenylphosphole
• Authors of publication: Kent D. Redwine; William L. Wilson; Donald G. Moses; Vincent J. Catalano; John H. Nelson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3392 - 3402
• a: 10.1466 ± 0.0014 Å
• b: 23.168 ± 0.002 Å
• c: 23.346 ± 0.002 Å
• α: 90°
• β: 91.374 ± 0.009°
• γ: 90°
• Cell volume: 5486.5 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1734
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections: 0.1481
• Weighted residual factors for significantly intense reflections: 0.1136
• Goodness-of-fit parameter for all reflections: 1.005
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No