Information card for entry 4321167

Structure parameters

• Common name: 4b
• Formula: C61 H70 B2 F8 O3 P4 Pt
• Calculated formula: C61 H70 B2 F8 O3 P4 Pt
• SMILES: [B](F)(F)(F)[F-].[C@@H]12[C@H]3C[C@@H](C(=C1C)C)[P@]2(c1ccccc1)[Pt]1([P]3(c2ccccc2)c2ccccc2)[P@@]2([C@@H]3[C@@H](C[C@H]2C(=C3C)C)[P]1(c1ccccc1)c1ccccc1)c1ccccc1.O=C(C)C.O=C(C)C.[B](F)(F)(F)[F-].O=C(C)C.[B](F)(F)(F)[F-].[C@H]12[C@@H]3C[C@H](C(=C1C)C)[P@@]2(c1ccccc1)[Pt]1([P]3(c2ccccc2)c2ccccc2)[P@]2([C@H]3[C@H](C[C@@H]2C(=C3C)C)[P]1(c1ccccc1)c1ccccc1)c1ccccc1.O=C(C)C.O=C(C)C.[B](F)(F)(F)[F-].O=C(C)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: 12.066 ± 0.002 Å
• b: 26.57 ± 0.003 Å
• c: 19.35 ± 0.002 Å
• α: 90°
• β: 95.197 ± 0.008°
• γ: 90°
• Cell volume: 6178 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections: 0.1721
• Weighted residual factors for significantly intense reflections: 0.1548
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No